4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid

C15H28N2O3 — CID 63655749

IUPAC4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17(10-6-9-14(18)19)15(20)16(3)11-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyMEWMOLXIKHDJBF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds7

About 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 63655749) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID63655749
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17(10-6-9-14(18)19)15(20)16(3)11-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyMEWMOLXIKHDJBF-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 55000266
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 63707414
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 63860398
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 63655749) is 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N(C)CC1CCCC1.
What is the InChIKey of 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is MEWMOLXIKHDJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)17(10-6-9-14(18)19)15(20)16(3)11-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 63655749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).