(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride

C4H9ClN2O3 — CID 135331136

IUPAC(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
SMILESCl.NC(=O)C[C@@H](N)C(=O)O
InChIInChI=1S/C4H8N2O3.ClH/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H/t2-;/m1./s1
InChIKeyOZZNZYUTTNWYQX-HSHFZTNMSA-N
MW168.58 g/mol
LogP-1.30
Rot. Bonds3

About (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride

(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride (PubChem CID 135331136) has the molecular formula C4H9ClN2O3 and a molecular weight of 168.58 g/mol. Its IUPAC name is (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
PubChem CID135331136
Molecular FormulaC4H9ClN2O3
Molecular Weight168.58 g/mol
Exact Mass168.03
IUPAC Name(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
SMILESCl.NC(=O)C[C@@H](N)C(=O)O
InChIInChI=1S/C4H8N2O3.ClH/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H/t2-;/m1./s1
InChIKeyOZZNZYUTTNWYQX-HSHFZTNMSA-N
XLogP-1.30
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435
2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
CID 18676827
2-aminoethanol;2,4-diamino-4-oxobutanoic acid
CID 174977424
(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;carbamic acid
CID 87364941
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride?
The IUPAC name of (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride (CID 135331136) is (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride?
The canonical SMILES for (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride is Cl.NC(=O)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride?
The InChIKey is OZZNZYUTTNWYQX-HSHFZTNMSA-N. The full InChI is InChI=1S/C4H8N2O3.ClH/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H/t2-;/m1./s1.
What are the key properties of (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride?
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride has a molecular weight of 168.58 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride is sourced from PubChem (CID 135331136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).