(2R)-2-(4-aminobutanoylamino)pentanoic acid

C9H18N2O3 — CID 103869889

IUPAC(2R)-2-(4-aminobutanoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)CCCN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-4-7(9(13)14)11-8(12)5-3-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyDUJSWYUPNAQBGB-SSDOTTSWSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds7

About (2R)-2-(4-aminobutanoylamino)pentanoic acid

(2R)-2-(4-aminobutanoylamino)pentanoic acid (PubChem CID 103869889) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-(4-aminobutanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-aminobutanoylamino)pentanoic acid
PubChem CID103869889
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-(4-aminobutanoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)CCCN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-4-7(9(13)14)11-8(12)5-3-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyDUJSWYUPNAQBGB-SSDOTTSWSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-aminobutanoylamino)pentanoic 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

N-Acetyl-L-glutamic acid
CID 70914
Aceglutamide
CID 182230
L-Alanyl-L-Glutamine
CID 123935
N-Acetyl-L-leucine
CID 70912
N-acetylglutamic acid
CID 185
epsilon-Acetyl-L-lysine
CID 92832
Glycyl-L-leucine
CID 92843
N-Acetyl-L-ornithine
CID 439232
N-Acetyl-D-leucine
CID 1241420
N-Acetyl-L-Lysine
CID 92907
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminobutanoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(4-aminobutanoylamino)pentanoic acid (CID 103869889) is (2R)-2-(4-aminobutanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(4-aminobutanoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(4-aminobutanoylamino)pentanoic acid is CCC[C@@H](NC(=O)CCCN)C(=O)O.
What is the InChIKey of (2R)-2-(4-aminobutanoylamino)pentanoic acid?
The InChIKey is DUJSWYUPNAQBGB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-4-7(9(13)14)11-8(12)5-3-6-10/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-aminobutanoylamino)pentanoic acid?
(2R)-2-(4-aminobutanoylamino)pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminobutanoylamino)pentanoic acid is sourced from PubChem (CID 103869889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).