(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide

C17H27N3O2 — CID 129340767

IUPAC(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)N[C@@H]1C=CCCC1)C1CC1
InChIInChI=1S/C17H27N3O2/c1-13(21)20(15-9-10-15)12-16-8-5-11-19(16)17(22)18-14-6-3-2-4-7-14/h3,6,14-16H,2,4-5,7-12H2,1H3,(H,18,22)/t14-,16+/m1/s1
InChIKeyQNVZHMKNMRYZHZ-ZBFHGGJFSA-N
MW305.42 g/mol
LogP2.28
Rot. Bonds4

About (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide (PubChem CID 129340767) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
PubChem CID129340767
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)N[C@@H]1C=CCCC1)C1CC1
InChIInChI=1S/C17H27N3O2/c1-13(21)20(15-9-10-15)12-16-8-5-11-19(16)17(22)18-14-6-3-2-4-7-14/h3,6,14-16H,2,4-5,7-12H2,1H3,(H,18,22)/t14-,16+/m1/s1
InChIKeyQNVZHMKNMRYZHZ-ZBFHGGJFSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340766
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129343162
2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
CID 128992954
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-1-methylsulfanylpropan-2-yl]pyrrolidine-1-carboxamide
CID 129344006
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-2-methylsulfanylpropyl]pyrrolidine-1-carboxamide
CID 129345848
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 129334200
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 129335447
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128996565
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 129341804
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128998901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide (CID 129340767) is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide is CC(=O)N(C[C@@H]1CCCN1C(=O)N[C@@H]1C=CCCC1)C1CC1.
What is the InChIKey of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide?
The InChIKey is QNVZHMKNMRYZHZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(21)20(15-9-10-15)12-16-8-5-11-19(16)17(22)18-14-6-3-2-4-7-14/h3,6,14-16H,2,4-5,7-12H2,1H3,(H,18,22)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide?
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129340767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).