cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 114173004

IUPACcis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(5-2)9(3)15-14(19)16-12-7-6-11(8-12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,11-,12+/m1/s1
InChIKeyWYCCMCUCCZPOJM-QZNDUUOJSA-N
MW270.37 g/mol
LogP2.36
Rot. Bonds6

About cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 114173004) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID114173004
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namecis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(5-2)9(3)15-14(19)16-12-7-6-11(8-12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,11-,12+/m1/s1
InChIKeyWYCCMCUCCZPOJM-QZNDUUOJSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(1-ethylsulfanylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173670
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173067
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032824
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 114173004) is cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(CC)C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WYCCMCUCCZPOJM-QZNDUUOJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(5-2)9(3)15-14(19)16-12-7-6-11(8-12)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).