N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid

C17H30N2O3 — CID 126520489

IUPACN-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid
SMILESC1CCC(NC2CCCCC2)CC1.O=C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C12H23N.C5H7NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3-1-4(5(8)9)6-2-3/h11-13H,1-10H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1
InChIKeyDGNCXJCJOVULJH-VWMHFEHESA-N
MW310.44 g/mol
LogP2.24
Rot. Bonds3

About N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid

N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid (PubChem CID 126520489) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid
PubChem CID126520489
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid
SMILESC1CCC(NC2CCCCC2)CC1.O=C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C12H23N.C5H7NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3-1-4(5(8)9)6-2-3/h11-13H,1-10H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1
InChIKeyDGNCXJCJOVULJH-VWMHFEHESA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-azepane-2-carboxylic acid;hydrochloride
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(2R)-piperidine-2-carboxylic acid
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3-(cyclopentylamino)cyclopentane-1-carboxylic acid
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6-methyl-4-oxopiperidine-2-carboxylic acid
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4,6-dioxopiperidine-2-carboxylic acid
CID 76516314
5-(cycloheptylamino)piperidin-2-one
CID 63379089
N-cyclopropylcyclododecanamine
CID 16776852
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 55296929

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid (CID 126520489) is N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid is C1CCC(NC2CCCCC2)CC1.O=C1CN[C@H](C(=O)O)C1.
What is the InChIKey of N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The InChIKey is DGNCXJCJOVULJH-VWMHFEHESA-N. The full InChI is InChI=1S/C12H23N.C5H7NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3-1-4(5(8)9)6-2-3/h11-13H,1-10H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1.
What are the key properties of N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;(2S)-4-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 126520489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).