(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid

C17H25NO3 — CID 81099566

IUPAC(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO3/c19-16(18-4-2-1-3-14(18)17(20)21)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2,(H,20,21)/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyUYUNJOPWFGMXIJ-DUTNFGBUSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds2

About (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 81099566) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID81099566
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO3/c19-16(18-4-2-1-3-14(18)17(20)21)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2,(H,20,21)/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyUYUNJOPWFGMXIJ-DUTNFGBUSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124702341
1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid (CID 81099566) is (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is UYUNJOPWFGMXIJ-DUTNFGBUSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16(18-4-2-1-3-14(18)17(20)21)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2,(H,20,21)/t10?,11?,12?,13?,14-,15?/m1/s1.
What are the key properties of (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(adamantane-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 81099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).