(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C15H22N2O4 — CID 92698847

IUPAC(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c16-13(18)8-3-5-17(6-4-8)14(19)11-9-1-2-10(7-9)12(11)15(20)21/h8-12H,1-7H2,(H2,16,18)(H,20,21)/t9-,10+,11-,12+/m1/s1
InChIKeyNSUUWKGXDUMNNP-KXNHARMFSA-N
MW294.35 g/mol
LogP0.46
Rot. Bonds3

About (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid

(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 92698847) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID92698847
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c16-13(18)8-3-5-17(6-4-8)14(19)11-9-1-2-10(7-9)12(11)15(20)21/h8-12H,1-7H2,(H2,16,18)(H,20,21)/t9-,10+,11-,12+/m1/s1
InChIKeyNSUUWKGXDUMNNP-KXNHARMFSA-N
XLogP0.46
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

(1S,2S,3R,4S)-3-(azepane-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98140427
(1R,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 10910202
(1R,2S,3R,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 162394068
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6465662
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(1S,2S,3S,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 100741999
cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674196
(1R,2S,3S,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557508
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(1S,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51398785
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 92698847) is (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is NC(=O)C1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O)CC1.
What is the InChIKey of (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NSUUWKGXDUMNNP-KXNHARMFSA-N. The full InChI is InChI=1S/C15H22N2O4/c16-13(18)8-3-5-17(6-4-8)14(19)11-9-1-2-10(7-9)12(11)15(20)21/h8-12H,1-7H2,(H2,16,18)(H,20,21)/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 92698847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).