2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid

C20H20N2O5 — CID 119195397

IUPAC2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C20H20N2O5/c21-19(25)16-6-1-2-7-17(16)27-12-13-4-3-5-14(10-13)20(26)22(11-18(23)24)15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H2,21,25)(H,23,24)
InChIKeyDPGYVRCGOIBAHO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.05
Rot. Bonds8

About 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid

2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid (PubChem CID 119195397) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
PubChem CID119195397
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C20H20N2O5/c21-19(25)16-6-1-2-7-17(16)27-12-13-4-3-5-14(10-13)20(26)22(11-18(23)24)15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H2,21,25)(H,23,24)
InChIKeyDPGYVRCGOIBAHO-UHFFFAOYSA-N
XLogP2.05
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
N-carbamoyl-N-cyclohexyl-2-phenylmethoxybenzamide
CID 174656216
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid (CID 119195397) is 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid is NC(=O)c1ccccc1OCc1cccc(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid?
The InChIKey is DPGYVRCGOIBAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c21-19(25)16-6-1-2-7-17(16)27-12-13-4-3-5-14(10-13)20(26)22(11-18(23)24)15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid?
2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).