2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid

C15H19NO3 — CID 63687261

IUPAC2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)N(C=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-2-10-15(14(18)19,12-6-4-3-5-7-12)16(11-17)13-8-9-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19)
InChIKeyCTWIGVXBBLOQAE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.39
Rot. Bonds7

About 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid

2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid (PubChem CID 63687261) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
PubChem CID63687261
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)N(C=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-2-10-15(14(18)19,12-6-4-3-5-7-12)16(11-17)13-8-9-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19)
InChIKeyCTWIGVXBBLOQAE-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid (CID 63687261) is 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid is CCCC(C(=O)O)(c1ccccc1)N(C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid?
The InChIKey is CTWIGVXBBLOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-10-15(14(18)19,12-6-4-3-5-7-12)16(11-17)13-8-9-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid?
2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid is sourced from PubChem (CID 63687261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).