(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide

C13H20N2O2 — CID 107568769

IUPAC(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-3-5-12(14)13(16)15-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyURHGCNDSQBQUFP-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds6

About (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide (PubChem CID 107568769) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
PubChem CID107568769
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-3-5-12(14)13(16)15-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyURHGCNDSQBQUFP-LBPRGKRZSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]butanediamide
CID 93345247
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
2-amino-N-[(3-methoxyphenyl)methyl]butanediamide;hydrochloride
CID 119955853
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
2-amino-N-benzylpentanamide
CID 11020044
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide (CID 107568769) is (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide is CCC[C@H](N)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide?
The InChIKey is URHGCNDSQBQUFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-12(14)13(16)15-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide?
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 107568769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).