3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid

C10H18N2O3 — CID 62670962

IUPAC3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(13)14)6-11-10(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyWFFGFUCOHQPNIO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.95
Rot. Bonds4

About 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid

3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 62670962) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
PubChem CID62670962
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(13)14)6-11-10(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyWFFGFUCOHQPNIO-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65472991
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968092
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
1-(3-amino-2-methylpropyl)-3-cyclobutylurea
CID 116658132
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid (CID 62670962) is 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid is CC(CNC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is WFFGFUCOHQPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(9(13)14)6-11-10(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid?
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62670962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).