2-(3-hydroxypropylamino)acetic acid

C5H11NO3 — CID 10313156

IUPAC2-(3-hydroxypropylamino)acetic acid
SMILESO=C(O)CNCCCO
InChIInChI=1S/C5H11NO3/c7-3-1-2-6-4-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyQIVWFDDLWNUYST-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.96
Rot. Bonds5

About 2-(3-hydroxypropylamino)acetic acid

2-(3-hydroxypropylamino)acetic acid (PubChem CID 10313156) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)acetic acid
PubChem CID10313156
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(3-hydroxypropylamino)acetic acid
SMILESO=C(O)CNCCCO
InChIInChI=1S/C5H11NO3/c7-3-1-2-6-4-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyQIVWFDDLWNUYST-UHFFFAOYSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tricine
CID 79784
N-(2-Hydroxyethyl)glycine
CID 225935
N-(Carboxymethyl)-beta-alanine
CID 281622
N-(2-hydroxyethyl)-beta-alanine
CID 222905
[Bis(2-hydroxyethyl)ammonio]acetate
CID 5256512
{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}acetate
CID 6992779
3-[(3-Hydroxypropyl)amino]propanoic acid
CID 13973648
Sodium 2-[(3-hydroxypropyl)amino]acetate
CID 88638121
N-(2-hydroxyethyl)alanine
CID 5487292
Glycine, N-propyl-
CID 414243
(2S)-2-(2-hydroxyethylamino)propanoic acid
CID 130443
3-(2-Hydroxyethylazaniumyl)propanoate
CID 36690572

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)acetic acid?
The IUPAC name of 2-(3-hydroxypropylamino)acetic acid (CID 10313156) is 2-(3-hydroxypropylamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxypropylamino)acetic acid?
The canonical SMILES for 2-(3-hydroxypropylamino)acetic acid is O=C(O)CNCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)acetic acid?
The InChIKey is QIVWFDDLWNUYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-3-1-2-6-4-5(8)9/h6-7H,1-4H2,(H,8,9).
What are the key properties of 2-(3-hydroxypropylamino)acetic acid?
2-(3-hydroxypropylamino)acetic acid has a molecular weight of 133.15 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)acetic acid is sourced from PubChem (CID 10313156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).