4-amino-5-oxopentanoic acid;dihydrochloride

C5H11Cl2NO3 — CID 23172563

IUPAC4-amino-5-oxopentanoic acid;dihydrochloride
SMILESCl.Cl.NC(C=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.2ClH/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H
InChIKeyDQFZYMKEXNAWBU-UHFFFAOYSA-N
MW204.05 g/mol
LogP0.22
Rot. Bonds4

About 4-amino-5-oxopentanoic acid;dihydrochloride

4-amino-5-oxopentanoic acid;dihydrochloride (PubChem CID 23172563) has the molecular formula C5H11Cl2NO3 and a molecular weight of 204.05 g/mol. Its IUPAC name is 4-amino-5-oxopentanoic acid;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-oxopentanoic acid;dihydrochloride
PubChem CID23172563
Molecular FormulaC5H11Cl2NO3
Molecular Weight204.05 g/mol
Exact Mass203.01
IUPAC Name4-amino-5-oxopentanoic acid;dihydrochloride
SMILESCl.Cl.NC(C=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.2ClH/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H
InChIKeyDQFZYMKEXNAWBU-UHFFFAOYSA-N
XLogP0.22
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-5-oxopentanoic acid;methane
CID 162048399
(4S)-4-amino-5-oxopentanoate
CID 16722117
3-[(3-amino-4-oxobutyl)-hydroxyphosphoryl]propanoic acid
CID 89169077
4-amino-5,6-ditritiohex-5-enoic acid
CID 16687996
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278
2-aminopentanedioic acid;but-2-enedioic acid
CID 173039009
2-[(4-amino-5-oxopentanoyl)amino]-2-(carboxyamino)acetic acid
CID 129083272
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
2-aminopentanedioic acid
CID 611

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxopentanoic acid;dihydrochloride?
The IUPAC name of 4-amino-5-oxopentanoic acid;dihydrochloride (CID 23172563) is 4-amino-5-oxopentanoic acid;dihydrochloride.
What is the SMILES notation for 4-amino-5-oxopentanoic acid;dihydrochloride?
The canonical SMILES for 4-amino-5-oxopentanoic acid;dihydrochloride is Cl.Cl.NC(C=O)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxopentanoic acid;dihydrochloride?
The InChIKey is DQFZYMKEXNAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.2ClH/c6-4(3-7)1-2-5(8)9;;/h3-4H,1-2,6H2,(H,8,9);2*1H.
What are the key properties of 4-amino-5-oxopentanoic acid;dihydrochloride?
4-amino-5-oxopentanoic acid;dihydrochloride has a molecular weight of 204.05 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxopentanoic acid;dihydrochloride is sourced from PubChem (CID 23172563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).