2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid

C14H18N2O4 — CID 43656055

IUPAC2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
SMILESCOc1cccc(NC(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-12-4-2-3-11(7-12)15-14(19)16(9-13(17)18)8-10-5-6-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyZUGKPLHNMWNHFN-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.02
Rot. Bonds6

About 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 43656055) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
PubChem CID43656055
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
SMILESCOc1cccc(NC(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-12-4-2-3-11(7-12)15-14(19)16(9-13(17)18)8-10-5-6-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyZUGKPLHNMWNHFN-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 43656602
2-[1,3-benzodioxol-5-ylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655636
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771751
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid (CID 43656055) is 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid is COc1cccc(NC(=O)N(CC(=O)O)CC2CC2)c1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is ZUGKPLHNMWNHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-4-2-3-11(7-12)15-14(19)16(9-13(17)18)8-10-5-6-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43656055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).