2-[(2-cyclopropylacetyl)amino]hexanoic acid

C11H19NO3 — CID 43469695

IUPAC2-[(2-cyclopropylacetyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-9(11(14)15)12-10(13)7-8-5-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySFPGMKNOYOGKIL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds7

About 2-[(2-cyclopropylacetyl)amino]hexanoic acid

2-[(2-cyclopropylacetyl)amino]hexanoic acid (PubChem CID 43469695) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]hexanoic acid
PubChem CID43469695
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2-cyclopropylacetyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-9(11(14)15)12-10(13)7-8-5-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySFPGMKNOYOGKIL-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-cyclopropylacetyl)amino]hexanoic 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-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]hexanoic acid (CID 43469695) is 2-[(2-cyclopropylacetyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]hexanoic acid is CCCCC(NC(=O)CC1CC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]hexanoic acid?
The InChIKey is SFPGMKNOYOGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-9(11(14)15)12-10(13)7-8-5-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]hexanoic acid?
2-[(2-cyclopropylacetyl)amino]hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]hexanoic acid is sourced from PubChem (CID 43469695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).