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

C16H23ClN2O — CID 119277305

IUPAC(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H22N2O.ClH/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);1H/t14-;/m0./s1
InChIKeyHTNFGUTUPBJEAQ-UQKRIMTDSA-N
MW294.83 g/mol
LogP2.28
Rot. Bonds6

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

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119277305) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119277305
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H22N2O.ClH/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);1H/t14-;/m0./s1
InChIKeyHTNFGUTUPBJEAQ-UQKRIMTDSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(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-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(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
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride (CID 119277305) is (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is HTNFGUTUPBJEAQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/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);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.28, 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;hydrochloride is sourced from PubChem (CID 119277305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).