4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid

C15H28N2O3 — CID 61205751

IUPAC4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17(11-5-8-14(18)19)15(20)16-10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLPPAXPKLAQWVIN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds8

About 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid

4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 61205751) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
PubChem CID61205751
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17(11-5-8-14(18)19)15(20)16-10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLPPAXPKLAQWVIN-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
CID 79380827
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[pent-4-ynylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 106222810
4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114108798
3-[tert-butyl(3-cyclopentylpropylcarbamoyl)amino]propanoic acid
CID 106005357
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
CID 61161104
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid (CID 61205751) is 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCCC1CCCC1.
What is the InChIKey of 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is LPPAXPKLAQWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)17(11-5-8-14(18)19)15(20)16-10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid?
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 61205751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).