(2S)-3-hydroxy-2-(propylamino)propanoic acid

C6H13NO3 — CID 55287062

IUPAC(2S)-3-hydroxy-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-7-5(4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyCUFVMBQKFLNIQA-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.57
Rot. Bonds5

About (2S)-3-hydroxy-2-(propylamino)propanoic acid

(2S)-3-hydroxy-2-(propylamino)propanoic acid (PubChem CID 55287062) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(propylamino)propanoic acid
PubChem CID55287062
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-3-hydroxy-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-7-5(4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyCUFVMBQKFLNIQA-YFKPBYRVSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
2-(propylamino)tetradecanoic acid
CID 54527307
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174818632

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(propylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(propylamino)propanoic acid (CID 55287062) is (2S)-3-hydroxy-2-(propylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(propylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(propylamino)propanoic acid is CCCN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(propylamino)propanoic acid?
The InChIKey is CUFVMBQKFLNIQA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-7-5(4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(propylamino)propanoic acid?
(2S)-3-hydroxy-2-(propylamino)propanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(propylamino)propanoic acid is sourced from PubChem (CID 55287062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).