3-amino-2-[ethyl(hydroxy)amino]propanoic acid

C5H12N2O3 — CID 130825760

IUPAC3-amino-2-[ethyl(hydroxy)amino]propanoic acid
SMILESCCN(O)C(CN)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-2-7(10)4(3-6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9)
InChIKeyNENYJXIXYYSUCI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.89
Rot. Bonds4

About 3-amino-2-[ethyl(hydroxy)amino]propanoic acid

3-amino-2-[ethyl(hydroxy)amino]propanoic acid (PubChem CID 130825760) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-amino-2-[ethyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[ethyl(hydroxy)amino]propanoic acid
PubChem CID130825760
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name3-amino-2-[ethyl(hydroxy)amino]propanoic acid
SMILESCCN(O)C(CN)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-2-7(10)4(3-6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9)
InChIKeyNENYJXIXYYSUCI-UHFFFAOYSA-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

3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid
CID 64694404
3-amino-2-[methyl(pentan-3-yl)amino]propanoic acid
CID 64695623
3-amino-2-[propan-2-yl(propyl)amino]propanoic acid
CID 64695014
2-[ethyl(hydroxy)amino]butanediamide
CID 87074702
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
1-aminopropan-2-yl(ethyl)carbamic acid
CID 134540126
2-[bis(sulfanylmethyl)amino]butanoic acid
CID 101497957
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(hydroxy)amino]propanoic acid?
The IUPAC name of 3-amino-2-[ethyl(hydroxy)amino]propanoic acid (CID 130825760) is 3-amino-2-[ethyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[ethyl(hydroxy)amino]propanoic acid?
The canonical SMILES for 3-amino-2-[ethyl(hydroxy)amino]propanoic acid is CCN(O)C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-[ethyl(hydroxy)amino]propanoic acid?
The InChIKey is NENYJXIXYYSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-2-7(10)4(3-6)5(8)9/h4,10H,2-3,6H2,1H3,(H,8,9).
What are the key properties of 3-amino-2-[ethyl(hydroxy)amino]propanoic acid?
3-amino-2-[ethyl(hydroxy)amino]propanoic 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 3-amino-2-[ethyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 130825760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).