cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H26N2O4 — CID 122066932

IUPACcis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2)12(13(17)16(22)23)14(20)18-11-6-5-10(9-11)15(21)19-7-3-4-8-19/h10-13H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t10-,11+,12-,13+/m1/s1
InChIKeyQUZJVUBKFXYJIB-XQHKEYJVSA-N
MW322.41 g/mol
LogP1.25
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122066932) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122066932
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H26N2O4/c1-17(2)12(13(17)16(22)23)14(20)18-11-6-5-10(9-11)15(21)19-7-3-4-8-19/h10-13H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t10-,11+,12-,13+/m1/s1
InChIKeyQUZJVUBKFXYJIB-XQHKEYJVSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64836565
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
cis-(1S,3R)-2,2-dimethyl-3-(3-methylazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 122066663
cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674196
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 122066932) is cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QUZJVUBKFXYJIB-XQHKEYJVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2)12(13(17)16(22)23)14(20)18-11-6-5-10(9-11)15(21)19-7-3-4-8-19/h10-13H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t10-,11+,12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).