cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate

C15H25N3O5 — CID 71734160

IUPACcis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1NC(=O)[C@@H]1CCN1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O5/c1-15(2,3)23-14(21)17-18-8-7-11(18)12(19)16-10-6-5-9(10)13(20)22-4/h9-11H,5-8H2,1-4H3,(H,16,19)(H,17,21)/t9-,10+,11-/m0/s1
InChIKeyBPVIPMYRCCIFED-AXFHLTTASA-N
MW327.38 g/mol
LogP0.57
Rot. Bonds4

About cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate

cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 71734160) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate
PubChem CID71734160
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Namecis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1NC(=O)[C@@H]1CCN1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O5/c1-15(2,3)23-14(21)17-18-8-7-11(18)12(19)16-10-6-5-9(10)13(20)22-4/h9-11H,5-8H2,1-4H3,(H,16,19)(H,17,21)/t9-,10+,11-/m0/s1
InChIKeyBPVIPMYRCCIFED-AXFHLTTASA-N
XLogP0.57
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031410
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
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
methyl (3R,4R)-1-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 175763074
(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
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
cis-tert-butyl (1S,2R)-2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 11654280

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate (CID 71734160) is cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate is COC(=O)[C@H]1CC[C@H]1NC(=O)[C@@H]1CCN1NC(=O)OC(C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is BPVIPMYRCCIFED-AXFHLTTASA-N. The full InChI is InChI=1S/C15H25N3O5/c1-15(2,3)23-14(21)17-18-8-7-11(18)12(19)16-10-6-5-9(10)13(20)22-4/h9-11H,5-8H2,1-4H3,(H,16,19)(H,17,21)/t9-,10+,11-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate?
cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 71734160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).