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

C15H27NO3 — CID 114092465

IUPACcis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O
InChIInChI=1S/C15H27NO3/c1-5-15(6-2,7-3)16-13(17)11-8-10(4)9-12(11)14(18)19/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyWIDDPJGJWZJTRG-GLXQMMQGSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds6

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

cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114092465) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114092465
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namecis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O
InChIInChI=1S/C15H27NO3/c1-5-15(6-2,7-3)16-13(17)11-8-10(4)9-12(11)14(18)19/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyWIDDPJGJWZJTRG-GLXQMMQGSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391356
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107846690
cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391355
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391307
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114092465) is cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is CCC(CC)(CC)NC(=O)[C@H]1CC(C)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is WIDDPJGJWZJTRG-GLXQMMQGSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-15(6-2,7-3)16-13(17)11-8-10(4)9-12(11)14(18)19/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).