(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide

C15H22N2O — CID 78955758

IUPAC(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CC1CC1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(9-13-7-8-13)17-15(18)14(16)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyBOTAOENRMGCNLL-IAXJKZSUSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds6

About (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide

(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide (PubChem CID 78955758) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
PubChem CID78955758
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CC1CC1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(9-13-7-8-13)17-15(18)14(16)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyBOTAOENRMGCNLL-IAXJKZSUSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
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2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylacetamide;hydrochloride
CID 119324224
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide (CID 78955758) is (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide is CC(CC1CC1)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide?
The InChIKey is BOTAOENRMGCNLL-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(9-13-7-8-13)17-15(18)14(16)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 78955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).