1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

C15H22N2O3 — CID 43638907

IUPAC1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCCn1cccc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-17-11-7-8-12(17)13(18)16-15(14(19)20)9-5-3-4-6-10-15/h7-8,11H,2-6,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyNXHUDGPTFVWBMJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds4

About 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43638907) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43638907
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCCn1cccc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-17-11-7-8-12(17)13(18)16-15(14(19)20)9-5-3-4-6-10-15/h7-8,11H,2-6,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyNXHUDGPTFVWBMJ-UHFFFAOYSA-N
XLogP2.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
1-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 114608649
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
CID 106297618
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594637
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 43638907) is 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is CCn1cccc1C(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is NXHUDGPTFVWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17-11-7-8-12(17)13(18)16-15(14(19)20)9-5-3-4-6-10-15/h7-8,11H,2-6,9-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43638907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).