1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid

C14H24N2O3 — CID 114239870

IUPAC1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCN1C(=O)NCCC1CC1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-5-3-1-2-4-10-16(12)14(19)15-9-8-11-6-7-11/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyPVEJERSKXHAJQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds4

About 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid

1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid (PubChem CID 114239870) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
PubChem CID114239870
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCN1C(=O)NCCC1CC1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-5-3-1-2-4-10-16(12)14(19)15-9-8-11-6-7-11/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyPVEJERSKXHAJQD-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
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(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
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1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
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CID 64562140
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
1-(2-thiomorpholin-4-ylethylcarbamoyl)azepane-2-carboxylic acid
CID 106326254
1-(3-methylsulfonylpropylcarbamoyl)azepane-2-carboxylic acid
CID 64562929
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
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1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
CID 79401803

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid (CID 114239870) is 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid is O=C(O)C1CCCCCCN1C(=O)NCCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid?
The InChIKey is PVEJERSKXHAJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)12-5-3-1-2-4-10-16(12)14(19)15-9-8-11-6-7-11/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid?
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid is sourced from PubChem (CID 114239870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).