2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid

C12H19NO3 — CID 165449455

IUPAC2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid
SMILESCC1(C(=O)NC2CCC(CC(=O)O)C2)CC1
InChIInChI=1S/C12H19NO3/c1-12(4-5-12)11(16)13-9-3-2-8(6-9)7-10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyUTBDVFUGTYUARE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds4

About 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid

2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid (PubChem CID 165449455) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid
PubChem CID165449455
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid
SMILESCC1(C(=O)NC2CCC(CC(=O)O)C2)CC1
InChIInChI=1S/C12H19NO3/c1-12(4-5-12)11(16)13-9-3-2-8(6-9)7-10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyUTBDVFUGTYUARE-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid (CID 165449455) is 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid is CC1(C(=O)NC2CCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is UTBDVFUGTYUARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(4-5-12)11(16)13-9-3-2-8(6-9)7-10(14)15/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid?
2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylcyclopropanecarbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 165449455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).