1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 63148645

IUPAC1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-2-16(15(20)21)9-10-18(12-16)11-14(19)17-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyKLXPKCWOXSNQQM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63148645) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63148645
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-2-16(15(20)21)9-10-18(12-16)11-14(19)17-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyKLXPKCWOXSNQQM-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126585
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124
3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 82363389
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopentylacetamide
CID 107160510
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-cycloheptylacetamide
CID 107161620
1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148934
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63148645) is 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)NC2CCCCCC2)C1.
What is the InChIKey of 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is KLXPKCWOXSNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-16(15(20)21)9-10-18(12-16)11-14(19)17-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).