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

C18H33NO5 — CID 118907301

IUPACmethyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCC(C)[C@H](C)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO5/c1-8-10(2)11(3)14-13(19-17(22)24-18(4,5)6)9-12(15(14)20)16(21)23-7/h10-15,20H,8-9H2,1-7H3,(H,19,22)/t10?,11-,12-,13+,14-,15+/m0/s1
InChIKeyKMDJDJNZOZBOQO-UKOUFMKDSA-N
MW343.46 g/mol
LogP2.73
Rot. Bonds5

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

methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (PubChem CID 118907301) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
PubChem CID118907301
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Namemethyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCC(C)[C@H](C)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO5/c1-8-10(2)11(3)14-13(19-17(22)24-18(4,5)6)9-12(15(14)20)16(21)23-7/h10-15,20H,8-9H2,1-7H3,(H,19,22)/t10?,11-,12-,13+,14-,15+/m0/s1
InChIKeyKMDJDJNZOZBOQO-UKOUFMKDSA-N
XLogP2.73
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 20586301
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
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 (3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
CID 10522092
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
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
(1S,2R,4S,5S)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 59710782

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (CID 118907301) is methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is CCC(C)[C@H](C)[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,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The InChIKey is KMDJDJNZOZBOQO-UKOUFMKDSA-N. The full InChI is InChI=1S/C18H33NO5/c1-8-10(2)11(3)14-13(19-17(22)24-18(4,5)6)9-12(15(14)20)16(21)23-7/h10-15,20H,8-9H2,1-7H3,(H,19,22)/t10?,11-,12-,13+,14-,15+/m0/s1.
What are the key properties of methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate has a molecular weight of 343.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3S,4R)-2-hydroxy-3-[(2S)-3-methylpentan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 118907301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).