3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid

C11H19NO4 — CID 66164999

IUPAC3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
SMILESO=C(CCC1CCCC1)NCC(O)C(=O)O
InChIInChI=1S/C11H19NO4/c13-9(11(15)16)7-12-10(14)6-5-8-3-1-2-4-8/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeyOSURSQOJGCWZJX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds6

About 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid

3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid (PubChem CID 66164999) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
PubChem CID66164999
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
SMILESO=C(CCC1CCCC1)NCC(O)C(=O)O
InChIInChI=1S/C11H19NO4/c13-9(11(15)16)7-12-10(14)6-5-8-3-1-2-4-8/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeyOSURSQOJGCWZJX-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
CID 114006236
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid (CID 66164999) is 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid is O=C(CCC1CCCC1)NCC(O)C(=O)O.
What is the InChIKey of 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid?
The InChIKey is OSURSQOJGCWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-9(11(15)16)7-12-10(14)6-5-8-3-1-2-4-8/h8-9,13H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid?
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66164999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).