(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide

C16H27N3O2 — CID 129333301

IUPAC(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C16H27N3O2/c1-12(20)19(14-8-9-14)11-15-7-4-10-18(15)16(21)17-13-5-2-3-6-13/h13-15H,2-11H2,1H3,(H,17,21)/t15-/m0/s1
InChIKeyFKBOETZWBXDQFZ-HNNXBMFYSA-N
MW293.41 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide (PubChem CID 129333301) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
PubChem CID129333301
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C16H27N3O2/c1-12(20)19(14-8-9-14)11-15-7-4-10-18(15)16(21)17-13-5-2-3-6-13/h13-15H,2-11H2,1H3,(H,17,21)/t15-/m0/s1
InChIKeyFKBOETZWBXDQFZ-HNNXBMFYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129343162
(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-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340767
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-1-methylsulfanylpropan-2-yl]pyrrolidine-1-carboxamide
CID 129344006
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide (CID 129333301) is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide is CC(=O)N(C[C@@H]1CCCN1C(=O)NC1CCCC1)C1CC1.
What is the InChIKey of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide?
The InChIKey is FKBOETZWBXDQFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(20)19(14-8-9-14)11-15-7-4-10-18(15)16(21)17-13-5-2-3-6-13/h13-15H,2-11H2,1H3,(H,17,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide?
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.11, 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-cyclopentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 129333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).