3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 66032816

IUPAC3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)15(20)16-13-6-5-12(7-13)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJOXFWZLKGQJRIE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds6

About 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032816) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66032816
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)15(20)16-13-6-5-12(7-13)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJOXFWZLKGQJRIE-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319528
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66032816) is 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)CN(CC(C)C)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JOXFWZLKGQJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)8-17(9-11(3)4)15(20)16-13-6-5-12(7-13)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).