cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate

C21H30N2O5 — CID 59453905

IUPACcis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
SMILESCCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC
InChIInChI=1S/C21H30N2O5/c1-4-5-11-18(23-19(24)14-8-6-9-15(13-14)27-2)20(25)22-17-12-7-10-16(17)21(26)28-3/h6,8-9,13,16-18H,4-5,7,10-12H2,1-3H3,(H,22,25)(H,23,24)/t16-,17+,18+/m1/s1
InChIKeyAMYKURBZKYQAES-SQNIBIBYSA-N
MW390.48 g/mol
LogP2.44
Rot. Bonds9

About cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate

cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate (PubChem CID 59453905) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
PubChem CID59453905
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namecis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
SMILESCCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC
InChIInChI=1S/C21H30N2O5/c1-4-5-11-18(23-19(24)14-8-6-9-15(13-14)27-2)20(25)22-17-12-7-10-16(17)21(26)28-3/h6,8-9,13,16-18H,4-5,7,10-12H2,1-3H3,(H,22,25)(H,23,24)/t16-,17+,18+/m1/s1
InChIKeyAMYKURBZKYQAES-SQNIBIBYSA-N
XLogP2.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
CID 59454084
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
cis-methyl (1R,2S)-2-[[(2S)-2-[[3-[2-(oxan-2-yloxy)ethoxy]benzoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 86644637
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453855
cis-(1R,2S)-2-[[(2S)-2-[(6-chloropyridine-2-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453841
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453796
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
cis-(1R,2S)-2-[[(2S)-2-[(1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453908
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 165480945
cis-(1R,2S)-2-[[(2S)-2-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59454117
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate (CID 59453905) is cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate is CCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC.
What is the InChIKey of cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is AMYKURBZKYQAES-SQNIBIBYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-4-5-11-18(23-19(24)14-8-6-9-15(13-14)27-2)20(25)22-17-12-7-10-16(17)21(26)28-3/h6,8-9,13,16-18H,4-5,7,10-12H2,1-3H3,(H,22,25)(H,23,24)/t16-,17+,18+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate?
cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 59453905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).