(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide

C15H24N2O2 — CID 81387074

IUPAC(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-8-6-7-9-13(12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10-,11-,14-/m0/s1
InChIKeyUKBFHTQWWLTVND-MJVIPROJSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

About (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 81387074) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID81387074
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-8-6-7-9-13(12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10-,11-,14-/m0/s1
InChIKeyUKBFHTQWWLTVND-MJVIPROJSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide (CID 81387074) is (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is UKBFHTQWWLTVND-MJVIPROJSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-8-6-7-9-13(12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10-,11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 81387074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).