3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C14H25N3O3 — CID 63042641

IUPAC3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(CNC(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-17-6-5-10(9-17)8-15-14(20)16-12-4-2-3-11(7-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyRLZLDFHJISDVKF-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds4

About 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042641) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63042641
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(CNC(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-17-6-5-10(9-17)8-15-14(20)16-12-4-2-3-11(7-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyRLZLDFHJISDVKF-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815964
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962805

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 63042641) is 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is CN1CCC(CNC(=O)NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RLZLDFHJISDVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17-6-5-10(9-17)8-15-14(20)16-12-4-2-3-11(7-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).