(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid

C16H25NO4 — CID 102945320

IUPAC(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C16H25NO4/c1-15(2)9-6-7-16(3,8-9)14(15)17-12(18)10-4-5-11(21-10)13(19)20/h9-11,14H,4-8H2,1-3H3,(H,17,18)(H,19,20)/t9?,10-,11+,14?,16?/m0/s1
InChIKeyALSPHZMWVKZNMQ-YRENXAPHSA-N
MW295.38 g/mol
LogP1.95
Rot. Bonds3

About (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945320) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945320
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C16H25NO4/c1-15(2)9-6-7-16(3,8-9)14(15)17-12(18)10-4-5-11(21-10)13(19)20/h9-11,14H,4-8H2,1-3H3,(H,17,18)(H,19,20)/t9?,10-,11+,14?,16?/m0/s1
InChIKeyALSPHZMWVKZNMQ-YRENXAPHSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978835
(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
CID 81140085
5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
CID 102689083
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688889
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369706
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 107030769
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 79270895
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945320) is (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid is CC12CCC(C1)C(C)(C)C2NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ALSPHZMWVKZNMQ-YRENXAPHSA-N. The full InChI is InChI=1S/C16H25NO4/c1-15(2)9-6-7-16(3,8-9)14(15)17-12(18)10-4-5-11(21-10)13(19)20/h9-11,14H,4-8H2,1-3H3,(H,17,18)(H,19,20)/t9?,10-,11+,14?,16?/m0/s1.
What are the key properties of (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).