(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide

C11H16N2O3 — CID 104898061

IUPAC(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
SMILESN[C@H](C(=O)NCC(O)CO)c1ccccc1
InChIInChI=1S/C11H16N2O3/c12-10(8-4-2-1-3-5-8)11(16)13-6-9(15)7-14/h1-5,9-10,14-15H,6-7,12H2,(H,13,16)/t9?,10-/m0/s1
InChIKeyHIEHHRILMQFLQC-AXDSSHIGSA-N
MW224.26 g/mol
LogP-0.84
Rot. Bonds5

About (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide

(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide (PubChem CID 104898061) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
PubChem CID104898061
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
SMILESN[C@H](C(=O)NCC(O)CO)c1ccccc1
InChIInChI=1S/C11H16N2O3/c12-10(8-4-2-1-3-5-8)11(16)13-6-9(15)7-14/h1-5,9-10,14-15H,6-7,12H2,(H,13,16)/t9?,10-/m0/s1
InChIKeyHIEHHRILMQFLQC-AXDSSHIGSA-N
XLogP-0.84
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide (CID 104898061) is (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide is N[C@H](C(=O)NCC(O)CO)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide?
The InChIKey is HIEHHRILMQFLQC-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-10(8-4-2-1-3-5-8)11(16)13-6-9(15)7-14/h1-5,9-10,14-15H,6-7,12H2,(H,13,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide?
(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 104898061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).