1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C19H26N2O3 — CID 122016810

IUPAC1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-10-11-21(13-16)19(24)20-12-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23)
InChIKeyRXMPIHPBDQVHBB-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.08
Rot. Bonds4

About 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122016810) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122016810
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-10-11-21(13-16)19(24)20-12-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23)
InChIKeyRXMPIHPBDQVHBB-UHFFFAOYSA-N
XLogP3.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 146095411
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
1-(2-phenylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122004198
1-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014966
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122016810) is 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCC2CCCCC2c2ccccc2)C1.
What is the InChIKey of 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RXMPIHPBDQVHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(23)16-10-11-21(13-16)19(24)20-12-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23).
What are the key properties of 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122016810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).