(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide

C16H22N2O — CID 61248190

IUPAC(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H22N2O/c17-14(10-11-4-2-1-3-5-11)16(19)18-15(12-6-7-12)13-8-9-13/h1-5,12-15H,6-10,17H2,(H,18,19)/t14-/m0/s1
InChIKeyNKHPJLMLIWUEGU-AWEZNQCLSA-N
MW258.36 g/mol
LogP1.86
Rot. Bonds6

About (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide (PubChem CID 61248190) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
PubChem CID61248190
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H22N2O/c17-14(10-11-4-2-1-3-5-11)16(19)18-15(12-6-7-12)13-8-9-13/h1-5,12-15H,6-10,17H2,(H,18,19)/t14-/m0/s1
InChIKeyNKHPJLMLIWUEGU-AWEZNQCLSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide (CID 61248190) is (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide?
The InChIKey is NKHPJLMLIWUEGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14(10-11-4-2-1-3-5-11)16(19)18-15(12-6-7-12)13-8-9-13/h1-5,12-15H,6-10,17H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide has a molecular weight of 258.36 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-(dicyclopropylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 61248190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).