2-[acetyl(propyl)amino]-2-propylpentanoic acid

C13H25NO3 — CID 55233791

IUPAC2-[acetyl(propyl)amino]-2-propylpentanoic acid
SMILESCCCN(C(C)=O)C(CCC)(CCC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-5-8-13(9-6-2,12(16)17)14(10-7-3)11(4)15/h5-10H2,1-4H3,(H,16,17)
InChIKeyLSRYVQSLFXKWIF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds8

About 2-[acetyl(propyl)amino]-2-propylpentanoic acid

2-[acetyl(propyl)amino]-2-propylpentanoic acid (PubChem CID 55233791) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-2-propylpentanoic acid
PubChem CID55233791
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[acetyl(propyl)amino]-2-propylpentanoic acid
SMILESCCCN(C(C)=O)C(CCC)(CCC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-5-8-13(9-6-2,12(16)17)14(10-7-3)11(4)15/h5-10H2,1-4H3,(H,16,17)
InChIKeyLSRYVQSLFXKWIF-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(propyl)amino]-2-propylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(propyl)amino]-2-propylpentanoic acid
CID 114990856
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
CID 113166139
(2S)-2-[acetyl(ethyl)amino]-2-ethylbutanedioic acid
CID 54047371
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid
CID 175257777
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
2-[acetyl(ethyl)amino]-2-methylnonanoic acid
CID 63701700
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
CID 63704773
2-[acetyl(propyl)amino]-2-(3,4-difluorophenyl)propanoic acid
CID 63701384
2-methylsulfanyl-2-propylpentanoic acid
CID 61343115
2-[acetyl(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-2-propylpentanoic acid?
The IUPAC name of 2-[acetyl(propyl)amino]-2-propylpentanoic acid (CID 55233791) is 2-[acetyl(propyl)amino]-2-propylpentanoic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]-2-propylpentanoic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]-2-propylpentanoic acid is CCCN(C(C)=O)C(CCC)(CCC)C(=O)O.
What is the InChIKey of 2-[acetyl(propyl)amino]-2-propylpentanoic acid?
The InChIKey is LSRYVQSLFXKWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-8-13(9-6-2,12(16)17)14(10-7-3)11(4)15/h5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[acetyl(propyl)amino]-2-propylpentanoic acid?
2-[acetyl(propyl)amino]-2-propylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-2-propylpentanoic acid is sourced from PubChem (CID 55233791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).