2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid

C14H20N2O4 — CID 61183174

IUPAC2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCOc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWWJRWGLXVJUHJA-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid

2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid (PubChem CID 61183174) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
PubChem CID61183174
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCOc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWWJRWGLXVJUHJA-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
3-[(4-methylphenyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 61190416
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
2-[(5-methylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62056404
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid (CID 61183174) is 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid is COc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is WWJRWGLXVJUHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).