2,5-diaminopentanoic acid;3-hydroxybutanoic acid

C9H20N2O5 — CID 90459084

IUPAC2,5-diaminopentanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/C5H12N2O2.C4H8O3/c6-3-1-2-4(7)5(8)9;1-3(5)2-4(6)7/h4H,1-3,6-7H2,(H,8,9);3,5H,2H2,1H3,(H,6,7)
InChIKeyOTYUSEMUZZHXOR-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.02
Rot. Bonds6

About 2,5-diaminopentanoic acid;3-hydroxybutanoic acid

2,5-diaminopentanoic acid;3-hydroxybutanoic acid (PubChem CID 90459084) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,5-diaminopentanoic acid;3-hydroxybutanoic acid.

Molecular Properties

Compound Name2,5-diaminopentanoic acid;3-hydroxybutanoic acid
PubChem CID90459084
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name2,5-diaminopentanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/C5H12N2O2.C4H8O3/c6-3-1-2-4(7)5(8)9;1-3(5)2-4(6)7/h4H,1-3,6-7H2,(H,8,9);3,5H,2H2,1H3,(H,6,7)
InChIKeyOTYUSEMUZZHXOR-UHFFFAOYSA-N
XLogP-1.02
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,5-diaminopentanoic acid;3-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

(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
(2R)-2-aminobutanedioic acid;(2R)-2,6-diaminohexanoic acid
CID 133109130
2-aminobutanedioic acid;bis(2,6-diaminohexanoic acid)
CID 138592337
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
CID 173251323

Frequently Asked Questions

What is the IUPAC name of 2,5-diaminopentanoic acid;3-hydroxybutanoic acid?
The IUPAC name of 2,5-diaminopentanoic acid;3-hydroxybutanoic acid (CID 90459084) is 2,5-diaminopentanoic acid;3-hydroxybutanoic acid.
What is the SMILES notation for 2,5-diaminopentanoic acid;3-hydroxybutanoic acid?
The canonical SMILES for 2,5-diaminopentanoic acid;3-hydroxybutanoic acid is CC(O)CC(=O)O.NCCCC(N)C(=O)O.
What is the InChIKey of 2,5-diaminopentanoic acid;3-hydroxybutanoic acid?
The InChIKey is OTYUSEMUZZHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C4H8O3/c6-3-1-2-4(7)5(8)9;1-3(5)2-4(6)7/h4H,1-3,6-7H2,(H,8,9);3,5H,2H2,1H3,(H,6,7).
What are the key properties of 2,5-diaminopentanoic acid;3-hydroxybutanoic acid?
2,5-diaminopentanoic acid;3-hydroxybutanoic acid has a molecular weight of 236.27 g/mol, XLogP of -1.02, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminopentanoic acid;3-hydroxybutanoic acid is sourced from PubChem (CID 90459084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).