3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid

C15H27NO4 — CID 103152651

IUPAC3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCOC(CNC(=O)C1(CC(C)C)CCCC1)CC(=O)O
InChIInChI=1S/C15H27NO4/c1-11(2)9-15(6-4-5-7-15)14(19)16-10-12(20-3)8-13(17)18/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKOPCSPXRWRUMTI-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.20
Rot. Bonds8

About 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid

3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 103152651) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
PubChem CID103152651
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCOC(CNC(=O)C1(CC(C)C)CCCC1)CC(=O)O
InChIInChI=1S/C15H27NO4/c1-11(2)9-15(6-4-5-7-15)14(19)16-10-12(20-3)8-13(17)18/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKOPCSPXRWRUMTI-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106183699
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid (CID 103152651) is 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid is COC(CNC(=O)C1(CC(C)C)CCCC1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is KOPCSPXRWRUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)9-15(6-4-5-7-15)14(19)16-10-12(20-3)8-13(17)18/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid?
3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 103152651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).