methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

C19H36N2O6 — CID 23563635

IUPACmethyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCC[C@](C)(OC)[C@H](N)[C@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O6/c1-8-9-19(5,26-7)15(20)13-12(21-17(24)27-18(2,3)4)10-11(14(13)22)16(23)25-6/h11-15,22H,8-10,20H2,1-7H3,(H,21,24)/t11-,12+,13+,14+,15+,19-/m0/s1
InChIKeyBNWCXGMPCUVGHR-QMWNJJEMSA-N
MW388.51 g/mol
LogP1.58
Rot. Bonds7

About methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (PubChem CID 23563635) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
PubChem CID23563635
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC Namemethyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCC[C@](C)(OC)[C@H](N)[C@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O6/c1-8-9-19(5,26-7)15(20)13-12(21-17(24)27-18(2,3)4)10-11(14(13)22)16(23)25-6/h11-15,22H,8-10,20H2,1-7H3,(H,21,24)/t11-,12+,13+,14+,15+,19-/m0/s1
InChIKeyBNWCXGMPCUVGHR-QMWNJJEMSA-N
XLogP1.58
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 118907301
methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 20586301
ethyl (1S,2R,4R,5S)-4,5-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 102420535
(1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;methyl (1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 157480163
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
methyl (1R,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 11345843
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (CID 23563635) is methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is CCC[C@](C)(OC)[C@H](N)[C@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The InChIKey is BNWCXGMPCUVGHR-QMWNJJEMSA-N. The full InChI is InChI=1S/C19H36N2O6/c1-8-9-19(5,26-7)15(20)13-12(21-17(24)27-18(2,3)4)10-11(14(13)22)16(23)25-6/h11-15,22H,8-10,20H2,1-7H3,(H,21,24)/t11-,12+,13+,14+,15+,19-/m0/s1.
What are the key properties of methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R,4R)-3-[(1R,2S)-1-amino-2-methoxy-2-methylpentyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 23563635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).