3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

C16H26N2O3 — CID 107419885

IUPAC3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-9-3-2-4-12(9)8-17-16(21)18-14-11-6-5-10(7-11)13(14)15(19)20/h9-14H,2-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyMNFZUHRVQAJPFC-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.22
Rot. Bonds4

About 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 107419885) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID107419885
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCCC1CNC(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-9-3-2-4-12(9)8-17-16(21)18-14-11-6-5-10(7-11)13(14)15(19)20/h9-14H,2-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyMNFZUHRVQAJPFC-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylaminocarbamoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83020284
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069936
3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103925600
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 107419885) is 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is CC1CCCC1CNC(=O)NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is MNFZUHRVQAJPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-9-3-2-4-12(9)8-17-16(21)18-14-11-6-5-10(7-11)13(14)15(19)20/h9-14H,2-8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 107419885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).