3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid

C15H22N2O4 — CID 61417820

IUPAC3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(9-8-14(18)19)15(20)16(2)11-12-6-5-7-13(10-12)21-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyGIRGDPILKNHTAX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.04
Rot. Bonds7

About 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid

3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid (PubChem CID 61417820) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
PubChem CID61417820
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(9-8-14(18)19)15(20)16(2)11-12-6-5-7-13(10-12)21-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyGIRGDPILKNHTAX-UHFFFAOYSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-bromophenyl)methyl-methylcarbamoyl]-ethylamino]propanoic acid
CID 61416607
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid (CID 61417820) is 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The InChIKey is GIRGDPILKNHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(9-8-14(18)19)15(20)16(2)11-12-6-5-7-13(10-12)21-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid?
3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 61417820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).