2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid

C13H21NO3 — CID 63703998

IUPAC2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-9(15)14(11-7-8-11)12(13(16)17)10-5-3-2-4-6-10/h10-12H,2-8H2,1H3,(H,16,17)
InChIKeyYZDFKACEAVEATC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid

2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid (PubChem CID 63703998) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
PubChem CID63703998
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-9(15)14(11-7-8-11)12(13(16)17)10-5-3-2-4-6-10/h10-12H,2-8H2,1H3,(H,16,17)
InChIKeyYZDFKACEAVEATC-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid (CID 63703998) is 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid is CC(=O)N(C1CC1)C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid?
The InChIKey is YZDFKACEAVEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(15)14(11-7-8-11)12(13(16)17)10-5-3-2-4-6-10/h10-12H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid?
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid has a molecular weight of 239.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 63703998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).