cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid

C7H12N2O2S — CID 15534342

IUPACcis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
SMILESNC(=S)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O2S/c8-7(12)9-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)(H3,8,9,12)/t4-,5+/m1/s1
InChIKeyLPUOIEAHWGREMB-UHNVWZDZSA-N
MW188.25 g/mol
LogP0.07
Rot. Bonds2

About cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid (PubChem CID 15534342) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
PubChem CID15534342
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namecis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
SMILESNC(=S)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O2S/c8-7(12)9-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)(H3,8,9,12)/t4-,5+/m1/s1
InChIKeyLPUOIEAHWGREMB-UHNVWZDZSA-N
XLogP0.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
trans-(1R,2R)-2-(phenylcarbamothioylamino)cyclopentane-1-carboxylic acid
CID 10539560
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
2-(cyanoamino)cyclopentane-1-carboxylic acid
CID 164660205
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid (CID 15534342) is cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid is NC(=S)N[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid?
The InChIKey is LPUOIEAHWGREMB-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12N2O2S/c8-7(12)9-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)(H3,8,9,12)/t4-,5+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid has a molecular weight of 188.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 15534342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).