(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid

C5H12N2O3 — CID 44576592

IUPAC(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid
SMILESCN(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-7(10)3-2-4(6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyFLQFJINHIKCQRH-BYPYZUCNSA-N
MW148.16 g/mol
LogP-0.89
Rot. Bonds4

About (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid

(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid (PubChem CID 44576592) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid
PubChem CID44576592
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid
SMILESCN(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-7(10)3-2-4(6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyFLQFJINHIKCQRH-BYPYZUCNSA-N
XLogP-0.89
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
2,4-Diaminobutyric acid, D-
CID 638153
Azoxybacilin
CID 72973
Carboxynorspermidine
CID 70678631
(2S)-2-Amino-4-(hydroxyamino)butanoic acid
CID 3082628
2-Amino-4-(hydroxyamino)butanoic acid
CID 13970944
2-Amino-4-(methylamino)butanoic acid
CID 21295102
2-(3-Amino-3-carboxypropyl)-isoxazolin-5-one
CID 57350456
Homoalanosine
CID 136888546
(2S)-2-amino-4-(dimethylamino)butanoic acid dihydrochloride
CID 165798433
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid (CID 44576592) is (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid is CN(O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid?
The InChIKey is FLQFJINHIKCQRH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-7(10)3-2-4(6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid?
(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid is sourced from PubChem (CID 44576592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).