2-[benzyl(2-hydroxyethyl)amino]propanoic acid

C12H17NO3 — CID 62115110

IUPAC2-[benzyl(2-hydroxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(15)16)13(7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,15,16)
InChIKeyWHGCNZWUNXRTCG-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.95
Rot. Bonds6

About 2-[benzyl(2-hydroxyethyl)amino]propanoic acid

2-[benzyl(2-hydroxyethyl)amino]propanoic acid (PubChem CID 62115110) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]propanoic acid
PubChem CID62115110
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(12(15)16)13(7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,15,16)
InChIKeyWHGCNZWUNXRTCG-UHFFFAOYSA-N
XLogP0.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]propanoic acid (CID 62115110) is 2-[benzyl(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]propanoic acid is CC(C(=O)O)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is WHGCNZWUNXRTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(12(15)16)13(7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]propanoic acid?
2-[benzyl(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 62115110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).