cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide

C9H14N2O2 — CID 57463673

IUPACcis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC1
InChIInChI=1S/C9H14N2O2/c10-8(12)6-2-1-3-7(6)9(13)11-4-5-11/h6-7H,1-5H2,(H2,10,12)/t6-,7+/m1/s1
InChIKeyBEKXTZJKPZMXGL-RQJHMYQMSA-N
MW182.22 g/mol
LogP-0.27
Rot. Bonds2

About cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide

cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide (PubChem CID 57463673) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
PubChem CID57463673
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namecis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC1
InChIInChI=1S/C9H14N2O2/c10-8(12)6-2-1-3-7(6)9(13)11-4-5-11/h6-7H,1-5H2,(H2,10,12)/t6-,7+/m1/s1
InChIKeyBEKXTZJKPZMXGL-RQJHMYQMSA-N
XLogP-0.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114081812
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091476
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 61041905
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
CID 114091788
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide (CID 57463673) is cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide is NC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC1.
What is the InChIKey of cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide?
The InChIKey is BEKXTZJKPZMXGL-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-8(12)6-2-1-3-7(6)9(13)11-4-5-11/h6-7H,1-5H2,(H2,10,12)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide?
cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 57463673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).