N-[(2S)-2-amino-2-phenylethyl]propanamide

C11H16N2O — CID 95015221

IUPACN-[(2S)-2-amino-2-phenylethyl]propanamide
SMILESCCC(=O)NC[C@@H](N)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-11(14)13-8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyOFKJEJDEVCWBKB-SNVBAGLBSA-N
MW192.26 g/mol
LogP1.21
Rot. Bonds4

About N-[(2S)-2-amino-2-phenylethyl]propanamide

N-[(2S)-2-amino-2-phenylethyl]propanamide (PubChem CID 95015221) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]propanamide
PubChem CID95015221
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]propanamide
SMILESCCC(=O)NC[C@@H](N)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-11(14)13-8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyOFKJEJDEVCWBKB-SNVBAGLBSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]propanamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]propanamide (CID 95015221) is N-[(2S)-2-amino-2-phenylethyl]propanamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]propanamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]propanamide is CCC(=O)NC[C@@H](N)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]propanamide?
The InChIKey is OFKJEJDEVCWBKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(14)13-8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]propanamide?
N-[(2S)-2-amino-2-phenylethyl]propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]propanamide is sourced from PubChem (CID 95015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).