2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid

C14H16N2O5 — CID 60827374

IUPAC2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
SMILESNC(=O)c1ccccc1OCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H16N2O5/c15-14(20)10-3-1-2-4-11(10)21-8-12(17)16(7-13(18)19)9-5-6-9/h1-4,9H,5-8H2,(H2,15,20)(H,18,19)
InChIKeyMKVPHZPLBBTWHM-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.24
Rot. Bonds7

About 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid

2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid (PubChem CID 60827374) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
PubChem CID60827374
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
SMILESNC(=O)c1ccccc1OCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H16N2O5/c15-14(20)10-3-1-2-4-11(10)21-8-12(17)16(7-13(18)19)9-5-6-9/h1-4,9H,5-8H2,(H2,15,20)(H,18,19)
InChIKeyMKVPHZPLBBTWHM-UHFFFAOYSA-N
XLogP0.24
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
CID 64520553
2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
CID 119195397
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
CID 119194754
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid (CID 60827374) is 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid is NC(=O)c1ccccc1OCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid?
The InChIKey is MKVPHZPLBBTWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-14(20)10-3-1-2-4-11(10)21-8-12(17)16(7-13(18)19)9-5-6-9/h1-4,9H,5-8H2,(H2,15,20)(H,18,19).
What are the key properties of 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid?
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60827374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).