(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide

C14H25NO3 — CID 129378857

IUPAC(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide
SMILESCOC[C@](C)(O)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H25NO3/c1-9(12-7-10-4-5-11(12)6-10)15-13(16)14(2,17)8-18-3/h9-12,17H,4-8H2,1-3H3,(H,15,16)/t9-,10-,11-,12-,14-/m0/s1
InChIKeyYWXVLZUYGAYKQR-JNLQPACOSA-N
MW255.36 g/mol
LogP1.32
Rot. Bonds5

About (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide

(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide (PubChem CID 129378857) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide
PubChem CID129378857
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide
SMILESCOC[C@](C)(O)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H25NO3/c1-9(12-7-10-4-5-11(12)6-10)15-13(16)14(2,17)8-18-3/h9-12,17H,4-8H2,1-3H3,(H,15,16)/t9-,10-,11-,12-,14-/m0/s1
InChIKeyYWXVLZUYGAYKQR-JNLQPACOSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98271573
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98337286
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822672
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide (CID 129378857) is (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide is COC[C@](C)(O)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The InChIKey is YWXVLZUYGAYKQR-JNLQPACOSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(12-7-10-4-5-11(12)6-10)15-13(16)14(2,17)8-18-3/h9-12,17H,4-8H2,1-3H3,(H,15,16)/t9-,10-,11-,12-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-hydroxy-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 129378857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).