2-hydroxy-2-(propylamino)acetic acid

C5H11NO3 — CID 150951827

IUPAC2-hydroxy-2-(propylamino)acetic acid
SMILESCCCNC(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-3-6-4(7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyLKGKLPKSAVZMNT-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.61
Rot. Bonds4

About 2-hydroxy-2-(propylamino)acetic acid

2-hydroxy-2-(propylamino)acetic acid (PubChem CID 150951827) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-hydroxy-2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(propylamino)acetic acid
PubChem CID150951827
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-hydroxy-2-(propylamino)acetic acid
SMILESCCCNC(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-3-6-4(7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyLKGKLPKSAVZMNT-UHFFFAOYSA-N
XLogP-0.61
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 ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 87071682
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
2,3-dihydroxybutanedioic acid;N-propylpropan-1-amine
CID 139301473
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
2-(propylamino)tetradecanoic acid
CID 54527307
2-hydroxy-2-(octanoylamino)acetic acid
CID 45122268
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
2-ethyl-5-(propylamino)hexanoic acid
CID 143678102
3,5-bis(propylamino)heptane-2,6-dione
CID 21339708
2-(propylamino)propanamide
CID 43086178

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(propylamino)acetic acid?
The IUPAC name of 2-hydroxy-2-(propylamino)acetic acid (CID 150951827) is 2-hydroxy-2-(propylamino)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(propylamino)acetic acid?
The canonical SMILES for 2-hydroxy-2-(propylamino)acetic acid is CCCNC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(propylamino)acetic acid?
The InChIKey is LKGKLPKSAVZMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-3-6-4(7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-hydroxy-2-(propylamino)acetic acid?
2-hydroxy-2-(propylamino)acetic acid has a molecular weight of 133.15 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(propylamino)acetic acid is sourced from PubChem (CID 150951827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).