3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid

C11H20N2O4 — CID 66166167

IUPAC3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
SMILESCC(NC(=O)NCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C11H20N2O4/c1-7(8-4-2-3-5-8)13-11(17)12-6-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQPIJVGGECBSPNC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.31
Rot. Bonds5

About 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid

3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid (PubChem CID 66166167) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
PubChem CID66166167
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
SMILESCC(NC(=O)NCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C11H20N2O4/c1-7(8-4-2-3-5-8)13-11(17)12-6-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQPIJVGGECBSPNC-UHFFFAOYSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 107840066
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid (CID 66166167) is 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid is CC(NC(=O)NCC(O)C(=O)O)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid?
The InChIKey is QPIJVGGECBSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(8-4-2-3-5-8)13-11(17)12-6-9(14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid?
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66166167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).