2-(cyclopentylcarbamoylamino)-3-methylbutanamide

C11H21N3O2 — CID 104858398

IUPAC2-(cyclopentylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)NC1CCCC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyQMNRMSJUHSTDBW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.74
Rot. Bonds4

About 2-(cyclopentylcarbamoylamino)-3-methylbutanamide

2-(cyclopentylcarbamoylamino)-3-methylbutanamide (PubChem CID 104858398) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylcarbamoylamino)-3-methylbutanamide
PubChem CID104858398
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(cyclopentylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)NC1CCCC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyQMNRMSJUHSTDBW-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 106346718
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
CID 106344676
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
methyl (2S)-2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 944987
methyl 2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 5218445
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
(2S)-N-cycloheptyl-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-methylbutanamide
CID 51719234
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
CID 149014671
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoylamino)-3-methylbutanamide?
The IUPAC name of 2-(cyclopentylcarbamoylamino)-3-methylbutanamide (CID 104858398) is 2-(cyclopentylcarbamoylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(cyclopentylcarbamoylamino)-3-methylbutanamide?
The canonical SMILES for 2-(cyclopentylcarbamoylamino)-3-methylbutanamide is CC(C)C(NC(=O)NC1CCCC1)C(N)=O.
What is the InChIKey of 2-(cyclopentylcarbamoylamino)-3-methylbutanamide?
The InChIKey is QMNRMSJUHSTDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-(cyclopentylcarbamoylamino)-3-methylbutanamide?
2-(cyclopentylcarbamoylamino)-3-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 104858398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).