2-(2-aminoethyl)-4-hydroxypentanoic acid

C7H15NO3 — CID 104680935

IUPAC2-(2-aminoethyl)-4-hydroxypentanoic acid
SMILESCC(O)CC(CCN)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-6(2-3-8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyHJYMBUDYSRFRJQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.19
Rot. Bonds5

About 2-(2-aminoethyl)-4-hydroxypentanoic acid

2-(2-aminoethyl)-4-hydroxypentanoic acid (PubChem CID 104680935) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-hydroxypentanoic acid
PubChem CID104680935
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(2-aminoethyl)-4-hydroxypentanoic acid
SMILESCC(O)CC(CCN)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-6(2-3-8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyHJYMBUDYSRFRJQ-UHFFFAOYSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-4-hydroxypentanoic 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

(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
4-amino-2-(fluoromethyl)butanoic acid
CID 83815073
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
4-amino-2-methylbutanoic acid
CID 3759025
2-amino-4-hydroxypentanoic acid
CID 14021586
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
3,4-dihydroxy-6-(2-hydroxypropyl)-2-methylheptanedioic acid
CID 90364715
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid
CID 104681093
2-amino-4-hydroxypentanoic acid;ethane
CID 143364485
6-amino-2-methyl-4-sulfanylhexanoic acid
CID 139712769

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-hydroxypentanoic acid?
The IUPAC name of 2-(2-aminoethyl)-4-hydroxypentanoic acid (CID 104680935) is 2-(2-aminoethyl)-4-hydroxypentanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-hydroxypentanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-hydroxypentanoic acid is CC(O)CC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-hydroxypentanoic acid?
The InChIKey is HJYMBUDYSRFRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)4-6(2-3-8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11).
What are the key properties of 2-(2-aminoethyl)-4-hydroxypentanoic acid?
2-(2-aminoethyl)-4-hydroxypentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-hydroxypentanoic acid is sourced from PubChem (CID 104680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).