2-amino-3-(1-hydroxyethylamino)propanoic acid

C5H12N2O3 — CID 130791522

IUPAC2-amino-3-(1-hydroxyethylamino)propanoic acid
SMILESCC(O)NCC(N)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(8)7-2-4(6)5(9)10/h3-4,7-8H,2,6H2,1H3,(H,9,10)
InChIKeyMZOYWCWQZKTLSN-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.67
Rot. Bonds4

About 2-amino-3-(1-hydroxyethylamino)propanoic acid

2-amino-3-(1-hydroxyethylamino)propanoic acid (PubChem CID 130791522) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-amino-3-(1-hydroxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-hydroxyethylamino)propanoic acid
PubChem CID130791522
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2-amino-3-(1-hydroxyethylamino)propanoic acid
SMILESCC(O)NCC(N)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(8)7-2-4(6)5(9)10/h3-4,7-8H,2,6H2,1H3,(H,9,10)
InChIKeyMZOYWCWQZKTLSN-UHFFFAOYSA-N
XLogP-1.67
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
CID 79266873
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
2-amino-3-hydrazinylpropanoic acid
CID 155021010
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
2-amino-3-(2,2-dimethylhydrazinyl)propanoic acid
CID 83024526
2-amino-3-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]propanoic acid
CID 129078601
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
(2S)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
CID 129078576

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-hydroxyethylamino)propanoic acid?
The IUPAC name of 2-amino-3-(1-hydroxyethylamino)propanoic acid (CID 130791522) is 2-amino-3-(1-hydroxyethylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-hydroxyethylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(1-hydroxyethylamino)propanoic acid is CC(O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1-hydroxyethylamino)propanoic acid?
The InChIKey is MZOYWCWQZKTLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3(8)7-2-4(6)5(9)10/h3-4,7-8H,2,6H2,1H3,(H,9,10).
What are the key properties of 2-amino-3-(1-hydroxyethylamino)propanoic acid?
2-amino-3-(1-hydroxyethylamino)propanoic acid has a molecular weight of 148.16 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-hydroxyethylamino)propanoic acid is sourced from PubChem (CID 130791522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).