cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H20N2O4 — CID 51674196

IUPACcis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-13(2)8(9(13)12(18)19)11(17)15-5-3-7(4-6-15)10(14)16/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,18,19)/t8-,9+/m0/s1
InChIKeyFTRKXRUEJXZQHF-DTWKUNHWSA-N
MW268.31 g/mol
LogP0.07
Rot. Bonds3

About cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 51674196) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID51674196
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namecis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-13(2)8(9(13)12(18)19)11(17)15-5-3-7(4-6-15)10(14)16/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,18,19)/t8-,9+/m0/s1
InChIKeyFTRKXRUEJXZQHF-DTWKUNHWSA-N
XLogP0.07
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674234
trans-(1S,3S)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674236
3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 25219924
cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107214281
cis-(1S,3R)-2,2-dimethyl-3-(3-methylazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 122066663
cis-(1R,3S)-3-(4-cyclohexylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065833
3-(3-methoxypyrrolidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 103531286
2,2-dimethyl-3-(1,4-oxazepane-4-carbonyl)cyclopropane-1-carboxylic acid
CID 64834867
2,2-dimethyl-3-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 64837448
trans-(1R,3R)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674121
(1S,2S,3R,4R)-3-(4-carbamoylpiperidine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 92698847

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 51674196) is cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FTRKXRUEJXZQHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2)8(9(13)12(18)19)11(17)15-5-3-7(4-6-15)10(14)16/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,18,19)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 51674196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).