3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 102907107

IUPAC3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)NC1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-9(2)13(10(3)4)8-16-15(20)17-12-6-5-11(7-12)14(18)19/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyRHZAQKSXYPRTAT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.47
Rot. Bonds6

About 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 102907107) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID102907107
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)NC1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-9(2)13(10(3)4)8-16-15(20)17-12-6-5-11(7-12)14(18)19/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyRHZAQKSXYPRTAT-UHFFFAOYSA-N
XLogP2.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 113484428
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114265030
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 102907107) is 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)C(CNC(=O)NC1CCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RHZAQKSXYPRTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)13(10(3)4)8-16-15(20)17-12-6-5-11(7-12)14(18)19/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102907107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).