N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide

C12H21N3O2 — CID 167012644

IUPACN'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCN1)C(=O)NC1CCCC1
InChIInChI=1S/C12H21N3O2/c16-11(14-8-10-6-3-7-13-10)12(17)15-9-4-1-2-5-9/h9-10,13H,1-8H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyBFJGERGOXROEAP-SNVBAGLBSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds3

About N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide

N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide (PubChem CID 167012644) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
PubChem CID167012644
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCN1)C(=O)NC1CCCC1
InChIInChI=1S/C12H21N3O2/c16-11(14-8-10-6-3-7-13-10)12(17)15-9-4-1-2-5-9/h9-10,13H,1-8H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyBFJGERGOXROEAP-SNVBAGLBSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
CID 166237838
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
1-(1,1-dioxothian-3-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234755
1-(piperidin-2-ylmethyl)-3-(thian-3-yl)urea
CID 117234759
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide (CID 167012644) is N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide is O=C(NC[C@H]1CCCN1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide?
The InChIKey is BFJGERGOXROEAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(14-8-10-6-3-7-13-10)12(17)15-9-4-1-2-5-9/h9-10,13H,1-8H2,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide?
N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 167012644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).