(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C15H26N2O — CID 114084659

IUPAC(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CNC[C@H]1C)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c1-9-7-16-8-14(9)15(18)17-10(2)13-6-11-3-4-12(13)5-11/h9-14,16H,3-8H2,1-2H3,(H,17,18)/t9-,10?,11?,12?,13?,14-/m1/s1
InChIKeySYRVDJMXDXDGJP-GXUGRNLDSA-N
MW250.39 g/mol
LogP1.78
Rot. Bonds3

About (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084659) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114084659
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CNC[C@H]1C)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c1-9-7-16-8-14(9)15(18)17-10(2)13-6-11-3-4-12(13)5-11/h9-14,16H,3-8H2,1-2H3,(H,17,18)/t9-,10?,11?,12?,13?,14-/m1/s1
InChIKeySYRVDJMXDXDGJP-GXUGRNLDSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977834
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
CID 63104541
(1R,6R)-6-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 124717093
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81385804
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
(1S,2S,3R,4S)-3-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712417
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 114084659) is (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC(NC(=O)[C@@H]1CNC[C@H]1C)C1CC2CCC1C2.
What is the InChIKey of (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is SYRVDJMXDXDGJP-GXUGRNLDSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9-7-16-8-14(9)15(18)17-10(2)13-6-11-3-4-12(13)5-11/h9-14,16H,3-8H2,1-2H3,(H,17,18)/t9-,10?,11?,12?,13?,14-/m1/s1.
What are the key properties of (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).