(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride

C14H23ClN2O — CID 67640844

IUPAC(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-11(2)13(15)14(17)16-10-9-12-7-5-4-6-8-12;/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17);1H/t11?,13-;/m0./s1
InChIKeyDRNRMXQIQQYKPF-IYWIJXFJSA-N
MW270.80 g/mol
LogP2.14
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride

(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride (PubChem CID 67640844) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
PubChem CID67640844
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-11(2)13(15)14(17)16-10-9-12-7-5-4-6-8-12;/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17);1H/t11?,13-;/m0./s1
InChIKeyDRNRMXQIQQYKPF-IYWIJXFJSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
3-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]benzoic acid
CID 63795309
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride (CID 67640844) is (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride is CCC(C)[C@H](N)C(=O)NCCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The InChIKey is DRNRMXQIQQYKPF-IYWIJXFJSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-11(2)13(15)14(17)16-10-9-12-7-5-4-6-8-12;/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 67640844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).