2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid

C14H18N2O4 — CID 62709870

IUPAC2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
SMILESCOCc1cccc(NC(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-8-9-3-2-4-11(7-9)15-14(19)16-12(13(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNVZMEHLDTGJLEN-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.82
Rot. Bonds6

About 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid

2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid (PubChem CID 62709870) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
PubChem CID62709870
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
SMILESCOCc1cccc(NC(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-8-9-3-2-4-11(7-9)15-14(19)16-12(13(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNVZMEHLDTGJLEN-UHFFFAOYSA-N
XLogP1.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
CID 62711551
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
2-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]acetic acid
CID 62697749
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid (CID 62709870) is 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid is COCc1cccc(NC(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid?
The InChIKey is NVZMEHLDTGJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-8-9-3-2-4-11(7-9)15-14(19)16-12(13(17)18)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid?
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid is sourced from PubChem (CID 62709870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).