2-(3-hydroxypentylamino)acetic acid

C7H15NO3 — CID 91143486

IUPAC2-(3-hydroxypentylamino)acetic acid
SMILESCCC(O)CCNCC(=O)O
InChIInChI=1S/C7H15NO3/c1-2-6(9)3-4-8-5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyPBOQJANPYCKMIZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds6

About 2-(3-hydroxypentylamino)acetic acid

2-(3-hydroxypentylamino)acetic acid (PubChem CID 91143486) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-hydroxypentylamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxypentylamino)acetic acid
PubChem CID91143486
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(3-hydroxypentylamino)acetic acid
SMILESCCC(O)CCNCC(=O)O
InChIInChI=1S/C7H15NO3/c1-2-6(9)3-4-8-5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyPBOQJANPYCKMIZ-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-hydroxypentylamino)acetic 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

(4S)-4-hydroxyhexanoic acid
CID 14057564
2-[(3-hydroxy-4-sulfobutyl)amino]acetic acid
CID 130427043
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
2-(4,4-difluorobutylamino)acetic acid
CID 171702884
2-(3,3-diaminopropylamino)acetic acid
CID 150012608
(5R)-5-hydroxyheptanoic acid
CID 14029725
2-[(3-methyl-4-oxopentyl)amino]acetic acid
CID 175017572
1-[(3-chloro-2-methylprop-2-enyl)amino]pentan-3-ol
CID 106438119
1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
CID 106932604
15-hydroxyheptadecanoic acid
CID 14454507
1-(2-methylbutylamino)pentan-3-ol
CID 115887931
27-hydroxynonacosanoic acid
CID 169277027

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentylamino)acetic acid?
The IUPAC name of 2-(3-hydroxypentylamino)acetic acid (CID 91143486) is 2-(3-hydroxypentylamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxypentylamino)acetic acid?
The canonical SMILES for 2-(3-hydroxypentylamino)acetic acid is CCC(O)CCNCC(=O)O.
What is the InChIKey of 2-(3-hydroxypentylamino)acetic acid?
The InChIKey is PBOQJANPYCKMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-6(9)3-4-8-5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(3-hydroxypentylamino)acetic acid?
2-(3-hydroxypentylamino)acetic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentylamino)acetic acid is sourced from PubChem (CID 91143486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).