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

C14H22N2O — CID 11565273

IUPAC(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/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)/t10-,11+,13-/m0/s1
InChIKeyNYJBZGDIBRHACS-LOWVWBTDSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide (PubChem CID 11565273) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
PubChem CID11565273
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/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)/t10-,11+,13-/m0/s1
InChIKeyNYJBZGDIBRHACS-LOWVWBTDSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
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
(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-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide (CID 11565273) is (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The InChIKey is NYJBZGDIBRHACS-LOWVWBTDSA-N. The full InChI is InChI=1S/C14H22N2O/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)/t10-,11+,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.24, 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 is sourced from PubChem (CID 11565273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).