(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid

C9H18N2O4 — CID 107825179

IUPAC(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
SMILESCCC(N)CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-2-6(10)5-8(13)11-7(3-4-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeySZNBIDPBULXJNT-COBSHVIPSA-N
MW218.25 g/mol
LogP-0.93
Rot. Bonds7

About (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid

(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid (PubChem CID 107825179) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
PubChem CID107825179
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
SMILESCCC(N)CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-2-6(10)5-8(13)11-7(3-4-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeySZNBIDPBULXJNT-COBSHVIPSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic 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

(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107825292
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 107825058
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
CID 61242771
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid (CID 107825179) is (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid is CCC(N)CC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid?
The InChIKey is SZNBIDPBULXJNT-COBSHVIPSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-2-6(10)5-8(13)11-7(3-4-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid?
(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).