(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide

C12H22N2O3 — CID 99856849

IUPAC(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide
SMILESC=C[C@@H](C)NC(=O)N1CC[C@H](OCCOC)C1
InChIInChI=1S/C12H22N2O3/c1-4-10(2)13-12(15)14-6-5-11(9-14)17-8-7-16-3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyIDSDOVMMHVOGHF-MNOVXSKESA-N
MW242.32 g/mol
LogP1.01
Rot. Bonds6

About (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide

(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide (PubChem CID 99856849) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide
PubChem CID99856849
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide
SMILESC=C[C@@H](C)NC(=O)N1CC[C@H](OCCOC)C1
InChIInChI=1S/C12H22N2O3/c1-4-10(2)13-12(15)14-6-5-11(9-14)17-8-7-16-3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyIDSDOVMMHVOGHF-MNOVXSKESA-N
XLogP1.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide
CID 130703038
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine
CID 137383035
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
3-hept-6-enoxypyrrolidine-1-carboxylic acid
CID 175825643
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
CID 86964366
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844209
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide (CID 99856849) is (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide is C=C[C@@H](C)NC(=O)N1CC[C@H](OCCOC)C1.
What is the InChIKey of (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide?
The InChIKey is IDSDOVMMHVOGHF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10(2)13-12(15)14-6-5-11(9-14)17-8-7-16-3/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)/t10-,11+/m1/s1.
What are the key properties of (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide?
(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).