2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid

C8H16N2O4 — CID 106174583

IUPAC2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
SMILESCCCC(NCC(O)C(N)=O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-3-5(8(13)14)10-4-6(11)7(9)12/h5-6,10-11H,2-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyVWCBAZJNGRGYNQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.32
Rot. Bonds7

About 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid

2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid (PubChem CID 106174583) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
PubChem CID106174583
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
SMILESCCCC(NCC(O)C(N)=O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-3-5(8(13)14)10-4-6(11)7(9)12/h5-6,10-11H,2-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyVWCBAZJNGRGYNQ-UHFFFAOYSA-N
XLogP-1.32
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]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

2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
CID 83041748
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
CID 56997535
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
2-[(2-oxohexan-3-ylamino)methyl]butanoic acid
CID 87947082
2-hydroxy-3-(octan-2-ylamino)propanamide
CID 106171085
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
4-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 123309007
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
CID 106175532

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid?
The IUPAC name of 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid (CID 106174583) is 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid is CCCC(NCC(O)C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid?
The InChIKey is VWCBAZJNGRGYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-3-5(8(13)14)10-4-6(11)7(9)12/h5-6,10-11H,2-4H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid?
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid is sourced from PubChem (CID 106174583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).