2,3-diaminopentanoic acid

C5H12N2O2 — CID 22719142

IUPAC2,3-diaminopentanoic acid
SMILESCCC(N)C(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-2-3(6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyHZIHVNNCKFUSJN-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.86
Rot. Bonds3

About 2,3-diaminopentanoic acid

2,3-diaminopentanoic acid (PubChem CID 22719142) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,3-diaminopentanoic acid.

Molecular Properties

Compound Name2,3-diaminopentanoic acid
PubChem CID22719142
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2,3-diaminopentanoic acid
SMILESCCC(N)C(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-2-3(6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyHZIHVNNCKFUSJN-UHFFFAOYSA-N
XLogP-0.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diaminohexan-2-one
CID 21059294
(2S)-2-amino-3-ethylpentanoic acid
CID 10125066
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2S)-2,3,6-triamino-8-ethyldecanoic acid
CID 150447365
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminopentanoic acid?
The IUPAC name of 2,3-diaminopentanoic acid (CID 22719142) is 2,3-diaminopentanoic acid.
What is the SMILES notation for 2,3-diaminopentanoic acid?
The canonical SMILES for 2,3-diaminopentanoic acid is CCC(N)C(N)C(=O)O.
What is the InChIKey of 2,3-diaminopentanoic acid?
The InChIKey is HZIHVNNCKFUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-2-3(6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9).
What are the key properties of 2,3-diaminopentanoic acid?
2,3-diaminopentanoic acid has a molecular weight of 132.16 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminopentanoic acid is sourced from PubChem (CID 22719142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).