cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

C14H25NO3 — CID 114092436

IUPACcis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCC(C)C(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-8(2)10(4)7-15-13(16)11-5-9(3)6-12(11)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m0/s1
InChIKeyPOWKSSSWLKDTOY-MMVSWEMESA-N
MW255.36 g/mol
LogP2.14
Rot. Bonds5

About cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114092436) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114092436
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namecis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCC(C)C(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-8(2)10(4)7-15-13(16)11-5-9(3)6-12(11)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m0/s1
InChIKeyPOWKSSSWLKDTOY-MMVSWEMESA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093430
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390973
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114092436) is cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NCC(C)C(C)C)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is POWKSSSWLKDTOY-MMVSWEMESA-N. The full InChI is InChI=1S/C14H25NO3/c1-8(2)10(4)7-15-13(16)11-5-9(3)6-12(11)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).