cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid

C14H22N2O4 — CID 167780064

IUPACcis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)NC2(C(N)=O)CCCC2)[C@@H]1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-13(2)7-8(9(13)11(18)19)10(17)16-14(12(15)20)5-3-4-6-14/h8-9H,3-7H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19)/t8-,9+/m0/s1
InChIKeyISQGTQNLWFVAPR-DTWKUNHWSA-N
MW282.34 g/mol
LogP0.65
Rot. Bonds4

About cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid

cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 167780064) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID167780064
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namecis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)NC2(C(N)=O)CCCC2)[C@@H]1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-13(2)7-8(9(13)11(18)19)10(17)16-14(12(15)20)5-3-4-6-14/h8-9H,3-7H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19)/t8-,9+/m0/s1
InChIKeyISQGTQNLWFVAPR-DTWKUNHWSA-N
XLogP0.65
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 167780064) is cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid is CC1(C)C[C@H](C(=O)NC2(C(N)=O)CCCC2)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is ISQGTQNLWFVAPR-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2)7-8(9(13)11(18)19)10(17)16-14(12(15)20)5-3-4-6-14/h8-9H,3-7H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid?
cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4S)-4-[(1-carbamoylcyclopentyl)carbamoyl]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 167780064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).