2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 103978487

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-9(2)16-12(17)7-8-15-13(18)10-5-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyHBCGUACFMYJIOW-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds7

About 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978487) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978487
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-9(2)16-12(17)7-8-15-13(18)10-5-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyHBCGUACFMYJIOW-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
CID 62781908
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
N-butan-2-yl-3-(1-cyclobutylpropan-2-ylamino)propanamide
CID 115713176
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103978487) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid is CCC(C)NC(=O)CCNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HBCGUACFMYJIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-9(2)16-12(17)7-8-15-13(18)10-5-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).