2-hydroxy-3-(2-phenylpropanoylamino)propanamide

C12H16N2O3 — CID 107260947

IUPAC2-hydroxy-3-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)NCC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-8(9-5-3-2-4-6-9)12(17)14-7-10(15)11(13)16/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVSZZPXSVLCOFCT-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.25
Rot. Bonds5

About 2-hydroxy-3-(2-phenylpropanoylamino)propanamide

2-hydroxy-3-(2-phenylpropanoylamino)propanamide (PubChem CID 107260947) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-3-(2-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-phenylpropanoylamino)propanamide
PubChem CID107260947
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-hydroxy-3-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)NCC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-8(9-5-3-2-4-6-9)12(17)14-7-10(15)11(13)16/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVSZZPXSVLCOFCT-UHFFFAOYSA-N
XLogP-0.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
N-butyl-2-phenylpropanamide
CID 101453557
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
CID 107833828
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-phenylpropanoylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(2-phenylpropanoylamino)propanamide (CID 107260947) is 2-hydroxy-3-(2-phenylpropanoylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-phenylpropanoylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-phenylpropanoylamino)propanamide is CC(C(=O)NCC(O)C(N)=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-(2-phenylpropanoylamino)propanamide?
The InChIKey is VSZZPXSVLCOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(9-5-3-2-4-6-9)12(17)14-7-10(15)11(13)16/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-hydroxy-3-(2-phenylpropanoylamino)propanamide?
2-hydroxy-3-(2-phenylpropanoylamino)propanamide has a molecular weight of 236.27 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-phenylpropanoylamino)propanamide is sourced from PubChem (CID 107260947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).