methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate

C15H26N2O4 — CID 56823981

IUPACmethyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate
SMILESCOC(=O)CC(C)NC(=O)CC(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)
InChIKeyAQDCJXORSFXQTO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.14
Rot. Bonds7

About methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate

methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate (PubChem CID 56823981) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate
PubChem CID56823981
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate
SMILESCOC(=O)CC(C)NC(=O)CC(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)
InChIKeyAQDCJXORSFXQTO-UHFFFAOYSA-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

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Related Compounds

4-Methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate
CID 56801380
Methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate
CID 75390738
1-Cyanobutan-2-yl 3-(cyclopentanecarbonylamino)butanoate
CID 86806107
methyl (3S)-3-[(1-cyanocyclopentanecarbonyl)amino]butanoate
CID 96546829
beta-Alanine, N-(3-cyclopentylpropionyl)-, butyl ester
CID 91730067
Methyl 2-acetamidocyclopentanecarboxylate
CID 45119239
Methyl 3-[(2-aminocyclopentanecarbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 64824382
Methyl 2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoate
CID 40340772
Methyl 3-(3-cyclopentylpropanamido)propanoate
CID 51072612
N-[4-(1-methoxybutan-2-ylamino)-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 72129928
L-Valine, N-cyclopentylcarbonyl-, methyl ester
CID 551695
cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate
CID 45089494

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate?
The IUPAC name of methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate (CID 56823981) is methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate.
What is the SMILES notation for methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate?
The canonical SMILES for methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate is COC(=O)CC(C)NC(=O)CC(C)NC(=O)C1CCCC1.
What is the InChIKey of methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate?
The InChIKey is AQDCJXORSFXQTO-UHFFFAOYSA-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).
What are the key properties of methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate?
methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]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 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate is sourced from PubChem (CID 56823981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).