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

C14H20N2O4 — CID 61181869

IUPAC2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCOc1ccccc1CNC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-6-4-5-7-12(11)20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySHNSTHQXTXNVDN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds6

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

2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid (PubChem CID 61181869) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
PubChem CID61181869
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCOc1ccccc1CNC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-6-4-5-7-12(11)20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySHNSTHQXTXNVDN-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

1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
2-[(2-methoxyphenyl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284197
2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61183174
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 60832575
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid (CID 61181869) is 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid is COc1ccccc1CNC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is SHNSTHQXTXNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)16(9-13(17)18)14(19)15-8-11-6-4-5-7-12(11)20-3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
2-[(2-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-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).