2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid

C12H13NO3 — CID 5075561

IUPAC2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(15)7-13-12(16)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15)
InChIKeyXUPHYXRWSYBQRM-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.99
Rot. Bonds4

About 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid

2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 5075561) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
PubChem CID5075561
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(15)7-13-12(16)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15)
InChIKeyXUPHYXRWSYBQRM-UHFFFAOYSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid (CID 5075561) is 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid is O=C(O)CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is XUPHYXRWSYBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(15)7-13-12(16)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15).
What are the key properties of 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 5075561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).