2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid

C14H20N2O3 — CID 63064878

IUPAC2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccccc1C(N)=O
InChIInChI=1S/C14H20N2O3/c1-10(2)7-16(9-13(17)18)8-11-5-3-4-6-12(11)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeySWWVIGFCQPKIDU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds7

About 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid

2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63064878) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID63064878
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccccc1C(N)=O
InChIInChI=1S/C14H20N2O3/c1-10(2)7-16(9-13(17)18)8-11-5-3-4-6-12(11)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeySWWVIGFCQPKIDU-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 79982333
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693
2-[(2-fluoro-5-methylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114055345
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 46982647
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613
2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978692
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
CID 113476297

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid (CID 63064878) is 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is SWWVIGFCQPKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)7-16(9-13(17)18)8-11-5-3-4-6-12(11)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).