(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide

C11H16N2O2 — CID 22690461

IUPAC(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyDXDLSFSUVHWKEJ-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 22690461) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID22690461
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyDXDLSFSUVHWKEJ-QMMMGPOBSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 142496432
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
[4-[(2-aminopropanoylamino)methyl]phenyl] N-tert-butylcarbamate
CID 174977406

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide (CID 22690461) is (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is DXDLSFSUVHWKEJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 22690461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).