(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride

C14H23ClN2O — CID 11565272

IUPAC(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-10(2)13(15)14(17)16-11(3)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H/t10-,11+,13-;/m0./s1
InChIKeyUOVBXRUCRNCBCG-LWEGJDAASA-N
MW270.80 g/mol
LogP2.66
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride

(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride (PubChem CID 11565272) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
PubChem CID11565272
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-10(2)13(15)14(17)16-11(3)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H/t10-,11+,13-;/m0./s1
InChIKeyUOVBXRUCRNCBCG-LWEGJDAASA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride (CID 11565272) is (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride?
The InChIKey is UOVBXRUCRNCBCG-LWEGJDAASA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-10(2)13(15)14(17)16-11(3)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H/t10-,11+,13-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride?
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride is sourced from PubChem (CID 11565272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).