2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid

C17H27NO3 — CID 103978835

IUPAC2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C17H27NO3/c1-16(2)10-7-8-17(3,9-10)15(16)18-13(19)11-5-4-6-12(11)14(20)21/h10-12,15H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyXTAKNBFJAOWHOU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds3

About 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978835) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978835
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C17H27NO3/c1-16(2)10-7-8-17(3,9-10)15(16)18-13(19)11-5-4-6-12(11)14(20)21/h10-12,15H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyXTAKNBFJAOWHOU-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945320
(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
CID 81140085
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978117
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 79811133
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 107030769

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978835) is 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid is CC12CCC(C1)C(C)(C)C2NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XTAKNBFJAOWHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2)10-7-8-17(3,9-10)15(16)18-13(19)11-5-4-6-12(11)14(20)21/h10-12,15H,4-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).