2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid

C15H19NO3 — CID 60831044

IUPAC2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-11(2)16(10-13(17)18)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeyGYEAELBFBMVSFC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.04
Rot. Bonds5

About 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid

2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60831044) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
PubChem CID60831044
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-11(2)16(10-13(17)18)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeyGYEAELBFBMVSFC-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid (CID 60831044) is 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is GYEAELBFBMVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)16(10-13(17)18)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid?
2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).