4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 122023327

IUPAC4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11(2)9-12-7-8-18(10-12)16(21)17-14-5-3-13(4-6-14)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFCBJDYWGVBXFAK-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.71
Rot. Bonds4

About 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023327) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023327
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11(2)9-12-7-8-18(10-12)16(21)17-14-5-3-13(4-6-14)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFCBJDYWGVBXFAK-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
4-[[3-(2-methoxyethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023823
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122017364
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023327) is 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CC(C)CC1CCN(C(=O)NC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FCBJDYWGVBXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)9-12-7-8-18(10-12)16(21)17-14-5-3-13(4-6-14)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).