methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate

C15H26N2O4 — CID 95609074

IUPACmethyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
SMILESCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-10(17-15(20)12-6-4-5-7-12)8-13(18)16-11(2)9-14(19)21-3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11+/m1/s1
InChIKeyAQDCJXORSFXQTO-MNOVXSKESA-N
MW298.38 g/mol
LogP1.14
Rot. Bonds7

About methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate

methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate (PubChem CID 95609074) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
PubChem CID95609074
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
SMILESCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-10(17-15(20)12-6-4-5-7-12)8-13(18)16-11(2)9-14(19)21-3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11+/m1/s1
InChIKeyAQDCJXORSFXQTO-MNOVXSKESA-N
XLogP1.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate with MolForge

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Related Compounds

(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
but-3-ynyl (3S)-3-(cyclopentanecarbonylamino)butanoate
CID 95168352
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119274284
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate?
The IUPAC name of methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate (CID 95609074) is methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate.
What is the SMILES notation for methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate?
The canonical SMILES for methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate is COC(=O)C[C@H](C)NC(=O)C[C@@H](C)NC(=O)C1CCCC1.
What is the InChIKey of methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate?
The InChIKey is AQDCJXORSFXQTO-MNOVXSKESA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(17-15(20)12-6-4-5-7-12)8-13(18)16-11(2)9-14(19)21-3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11+/m1/s1.
What are the key properties of methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate?
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate has a molecular weight of 298.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate is sourced from PubChem (CID 95609074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).