cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 106324121

IUPACcis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCN(CCCC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)15(20)16-13-8-7-12(11-13)14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1
InChIKeyCIZPIONEDXBISF-OLZOCXBDSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds8

About cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106324121) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106324121
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namecis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCN(CCCC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)15(20)16-13-8-7-12(11-13)14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1
InChIKeyCIZPIONEDXBISF-OLZOCXBDSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024885
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
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-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106324121) is cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCCN(CCCC)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CIZPIONEDXBISF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)15(20)16-13-8-7-12(11-13)14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).