trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H17NO6 — CID 95390965

IUPACtrans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H17NO6/c1-15(2)11(12(15)14(20)21)13(19)16-8-4-3-5-9(6-8)22-7-10(17)18/h3-6,11-12H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t11-,12-/m0/s1
InChIKeyBQPUNRRKPJPRAT-RYUDHWBXSA-N
MW307.30 g/mol
LogP1.45
Rot. Bonds6

About trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 95390965) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID95390965
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Nametrans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H17NO6/c1-15(2)11(12(15)14(20)21)13(19)16-8-4-3-5-9(6-8)22-7-10(17)18/h3-6,11-12H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t11-,12-/m0/s1
InChIKeyBQPUNRRKPJPRAT-RYUDHWBXSA-N
XLogP1.45
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-hydroxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 53368437
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
2-[3-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]phenoxy]acetic acid
CID 122107685
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
cis-(1R,3S)-3-[[3-[2-(cyclopropylamino)-2-oxoethyl]phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95858892
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 95390965) is trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BQPUNRRKPJPRAT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17NO6/c1-15(2)11(12(15)14(20)21)13(19)16-8-4-3-5-9(6-8)22-7-10(17)18/h3-6,11-12H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t11-,12-/m0/s1.
What are the key properties of trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 307.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 95390965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).