3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid

C15H26N2O4 — CID 119250220

IUPAC3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CNC(=O)CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-15(2,14(20)21)10-17-13(19)9-16-12(18)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyIQOXYNYFFCTURH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds8

About 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119250220) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119250220
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CNC(=O)CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-15(2,14(20)21)10-17-13(19)9-16-12(18)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyIQOXYNYFFCTURH-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
3-cyclopentyl-N-(2-methylprop-2-enyl)propanamide
CID 91695995
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
2,2-dimethyl-3-[3-[(2S,5S)-5-methyloxolan-2-yl]propanoylamino]propanoic acid
CID 124694239
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-bromoprop-2-enyl)-3-cyclopentylpropanamide
CID 115594621
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid (CID 119250220) is 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)CNC(=O)CCC1CCCC1)C(=O)O.
What is the InChIKey of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is IQOXYNYFFCTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,14(20)21)10-17-13(19)9-16-12(18)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119250220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).