(3-methylphenyl)methyl 2-(methylamino)propanoate

C12H17NO2 — CID 145274403

IUPAC(3-methylphenyl)methyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-15-12(14)10(2)13-3/h4-7,10,13H,8H2,1-3H3
InChIKeyGIKUGZRVSOCDHH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds4

About (3-methylphenyl)methyl 2-(methylamino)propanoate

(3-methylphenyl)methyl 2-(methylamino)propanoate (PubChem CID 145274403) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-(methylamino)propanoate
PubChem CID145274403
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3-methylphenyl)methyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-15-12(14)10(2)13-3/h4-7,10,13H,8H2,1-3H3
InChIKeyGIKUGZRVSOCDHH-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
(3-methylphenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8895454
ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
(3-methylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748100
(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
CID 129081148
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-(methylamino)propanoate?
The IUPAC name of (3-methylphenyl)methyl 2-(methylamino)propanoate (CID 145274403) is (3-methylphenyl)methyl 2-(methylamino)propanoate.
What is the SMILES notation for (3-methylphenyl)methyl 2-(methylamino)propanoate?
The canonical SMILES for (3-methylphenyl)methyl 2-(methylamino)propanoate is CNC(C)C(=O)OCc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl)methyl 2-(methylamino)propanoate?
The InChIKey is GIKUGZRVSOCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-15-12(14)10(2)13-3/h4-7,10,13H,8H2,1-3H3.
What are the key properties of (3-methylphenyl)methyl 2-(methylamino)propanoate?
(3-methylphenyl)methyl 2-(methylamino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-(methylamino)propanoate is sourced from PubChem (CID 145274403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).