(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

C15H22NO4- — CID 11895760

IUPAC(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESC[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])[C@H]1CCCO1
InChIInChI=1S/C15H23NO4/c1-8(11-3-2-6-20-11)16-14(17)12-9-4-5-10(7-9)13(12)15(18)19/h8-13H,2-7H2,1H3,(H,16,17)(H,18,19)/p-1/t8-,9-,10+,11-,12-,13+/m1/s1
InChIKeyTYKUYFVDUMUBAA-LYUGOTMTSA-M
MW280.34 g/mol
LogP0.08
Rot. Bonds4

About (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 11895760) has the molecular formula C15H22NO4- and a molecular weight of 280.34 g/mol. Its IUPAC name is (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID11895760
Molecular FormulaC15H22NO4-
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESC[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])[C@H]1CCCO1
InChIInChI=1S/C15H23NO4/c1-8(11-3-2-6-20-11)16-14(17)12-9-4-5-10(7-9)13(12)15(18)19/h8-13H,2-7H2,1H3,(H,16,17)(H,18,19)/p-1/t8-,9-,10+,11-,12-,13+/m1/s1
InChIKeyTYKUYFVDUMUBAA-LYUGOTMTSA-M
XLogP0.08
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532767
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
(1S,2S,3S,4R)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11881292
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
CID 35250271
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
(1S,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922437

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 11895760) is (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])[C@H]1CCCO1.
What is the InChIKey of (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is TYKUYFVDUMUBAA-LYUGOTMTSA-M. The full InChI is InChI=1S/C15H23NO4/c1-8(11-3-2-6-20-11)16-14(17)12-9-4-5-10(7-9)13(12)15(18)19/h8-13H,2-7H2,1H3,(H,16,17)(H,18,19)/p-1/t8-,9-,10+,11-,12-,13+/m1/s1.
What are the key properties of (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 11895760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).