2-(2-hydroxyethylamino)propanoic acid

C5H11NO3 — CID 19816311

IUPAC2-(2-hydroxyethylamino)propanoic acid
SMILESCC(NCCO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(8)9)6-2-3-7/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyJOOSUPODUVRSRP-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.96
Rot. Bonds4

About 2-(2-hydroxyethylamino)propanoic acid

2-(2-hydroxyethylamino)propanoic acid (PubChem CID 19816311) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)propanoic acid
PubChem CID19816311
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(2-hydroxyethylamino)propanoic acid
SMILESCC(NCCO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(8)9)6-2-3-7/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyJOOSUPODUVRSRP-UHFFFAOYSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-alanine
CID 88064
Tricine
CID 79784
N-Methyl-L-Alanine
CID 5288725
Alanopine
CID 439943
N-(2-Hydroxyethyl)glycine
CID 225935
Methylserine
CID 7009640
N-acetyl-D-alanine
CID 132213
(2R)-2-(methylamino)propanoic acid
CID 92973
L-N-Carboxymethylserine
CID 435401
{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}acetate
CID 6992779
N-Acetyl-DL-alanine
CID 7345
N-Methyl-DL-Alanine
CID 4377

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)propanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)propanoic acid (CID 19816311) is 2-(2-hydroxyethylamino)propanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)propanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)propanoic acid is CC(NCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethylamino)propanoic acid?
The InChIKey is JOOSUPODUVRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(5(8)9)6-2-3-7/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(2-hydroxyethylamino)propanoic acid?
2-(2-hydroxyethylamino)propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)propanoic acid is sourced from PubChem (CID 19816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).