(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide

C10H16N2O2 — CID 21152855

IUPAC(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@]1(C(=O)NC(N)=O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16N2O2/c1-10(8(13)12-9(11)14)5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H3,11,12,13,14)/t6-,7+,10+/m1/s1
InChIKeyLXGJWVRJWGJEIY-FWWHASMVSA-N
MW196.25 g/mol
LogP1.01
Rot. Bonds1

About (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 21152855) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID21152855
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@]1(C(=O)NC(N)=O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16N2O2/c1-10(8(13)12-9(11)14)5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H3,11,12,13,14)/t6-,7+,10+/m1/s1
InChIKeyLXGJWVRJWGJEIY-FWWHASMVSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 166247680
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154772117
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
(3-amino-4-fluorophenyl) 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 138046435

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 21152855) is (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide is C[C@]1(C(=O)NC(N)=O)C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LXGJWVRJWGJEIY-FWWHASMVSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(8(13)12-9(11)14)5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H3,11,12,13,14)/t6-,7+,10+/m1/s1.
What are the key properties of (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 21152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).