3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide

C13H20N2O4 — CID 107852996

IUPAC3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)NC(CO)(CO)CO)c1ccccc1
InChIInChI=1S/C13H20N2O4/c14-6-11(10-4-2-1-3-5-10)12(19)15-13(7-16,8-17)9-18/h1-5,11,16-18H,6-9,14H2,(H,15,19)
InChIKeyLTNLHNDJZYSYKQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP-1.44
Rot. Bonds7

About 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide (PubChem CID 107852996) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
PubChem CID107852996
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)NC(CO)(CO)CO)c1ccccc1
InChIInChI=1S/C13H20N2O4/c14-6-11(10-4-2-1-3-5-10)12(19)15-13(7-16,8-17)9-18/h1-5,11,16-18H,6-9,14H2,(H,15,19)
InChIKeyLTNLHNDJZYSYKQ-UHFFFAOYSA-N
XLogP-1.44
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
CID 62877842
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
3-amino-N-(2-cyclopropylpropan-2-yl)-2-phenylpropanamide
CID 114110658
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylacetamide
CID 107853090
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide (CID 107852996) is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide is NCC(C(=O)NC(CO)(CO)CO)c1ccccc1.
What is the InChIKey of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide?
The InChIKey is LTNLHNDJZYSYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c14-6-11(10-4-2-1-3-5-10)12(19)15-13(7-16,8-17)9-18/h1-5,11,16-18H,6-9,14H2,(H,15,19).
What are the key properties of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide?
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide has a molecular weight of 268.31 g/mol, XLogP of -1.44, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 107852996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).