(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

C13H21ClN2O4 — CID 119271842

IUPAC(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-11(18-3)12(19-4)6-10(9)17-2;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H/t8-;/m0./s1
InChIKeyVBEIZNPMVIEVNM-QRPNPIFTSA-N
MW304.77 g/mol
LogP1.10
Rot. Bonds6

About (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119271842) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119271842
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-11(18-3)12(19-4)6-10(9)17-2;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H/t8-;/m0./s1
InChIKeyVBEIZNPMVIEVNM-QRPNPIFTSA-N
XLogP1.10
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
CID 115152405
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119271842) is (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is VBEIZNPMVIEVNM-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-11(18-3)12(19-4)6-10(9)17-2;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119271842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).