N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide

C13H24N2O2 — CID 81389076

IUPACN-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N[C@@H](C)C2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-9(10-5-3-4-6-10)15-13(16)12-7-11(17-2)8-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,11?,12?/m0/s1
InChIKeySNVUKAZUVZHGRU-GCVQQVDUSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds4

About N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide

N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 81389076) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID81389076
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N[C@@H](C)C2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-9(10-5-3-4-6-10)15-13(16)12-7-11(17-2)8-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,11?,12?/m0/s1
InChIKeySNVUKAZUVZHGRU-GCVQQVDUSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide (CID 81389076) is N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)N[C@@H](C)C2CCCC2)C1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SNVUKAZUVZHGRU-GCVQQVDUSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(10-5-3-4-6-10)15-13(16)12-7-11(17-2)8-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,11?,12?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 81389076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).