(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride

C16H25ClN2OS — CID 119331086

IUPAC(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NC(Cc1ccccc1)C1CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-10-9-14(17)16(19)18-15(13-7-8-13)11-12-5-3-2-4-6-12;/h2-6,13-15H,7-11,17H2,1H3,(H,18,19);1H/t14-,15?;/m0./s1
InChIKeyIAZBPPCMECWDSU-QDVCFFRGSA-N
MW328.91 g/mol
LogP2.63
Rot. Bonds8

About (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119331086) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119331086
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NC(Cc1ccccc1)C1CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-10-9-14(17)16(19)18-15(13-7-8-13)11-12-5-3-2-4-6-12;/h2-6,13-15H,7-11,17H2,1H3,(H,18,19);1H/t14-,15?;/m0./s1
InChIKeyIAZBPPCMECWDSU-QDVCFFRGSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 173062166
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
methyl 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate
CID 61259254
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
(3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 91975438
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
CID 115706143
2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 78985510
benzyl (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride
CID 70619405
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetic acid
CID 104898570
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119331086) is (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NC(Cc1ccccc1)C1CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is IAZBPPCMECWDSU-QDVCFFRGSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-20-10-9-14(17)16(19)18-15(13-7-8-13)11-12-5-3-2-4-6-12;/h2-6,13-15H,7-11,17H2,1H3,(H,18,19);1H/t14-,15?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119331086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).