(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide

C14H20N2O — CID 103795240

IUPAC(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
SMILESCC1CC1CNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-10-7-12(10)9-16-14(17)13(15)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10?,12?,13-/m0/s1
InChIKeyROKZHACNXFMHRT-GDKBPFBDSA-N
MW232.33 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide

(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide (PubChem CID 103795240) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
PubChem CID103795240
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
SMILESCC1CC1CNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-10-7-12(10)9-16-14(17)13(15)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10?,12?,13-/m0/s1
InChIKeyROKZHACNXFMHRT-GDKBPFBDSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
CID 103797022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide (CID 103795240) is (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide is CC1CC1CNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide?
The InChIKey is ROKZHACNXFMHRT-GDKBPFBDSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-7-12(10)9-16-14(17)13(15)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 103795240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).