2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid

C15H26N2O3 — CID 81162990

IUPAC2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1CCC(NC(=O)NCC2(CC(=O)O)CCC2)C1C
InChIInChI=1S/C15H26N2O3/c1-10-4-5-12(11(10)2)17-14(20)16-9-15(6-3-7-15)8-13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyHPZZDPGFCTUKKR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds5

About 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81162990) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81162990
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1CCC(NC(=O)NCC2(CC(=O)O)CCC2)C1C
InChIInChI=1S/C15H26N2O3/c1-10-4-5-12(11(10)2)17-14(20)16-9-15(6-3-7-15)8-13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyHPZZDPGFCTUKKR-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440584
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid (CID 81162990) is 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid is CC1CCC(NC(=O)NCC2(CC(=O)O)CCC2)C1C.
What is the InChIKey of 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is HPZZDPGFCTUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-4-5-12(11(10)2)17-14(20)16-9-15(6-3-7-15)8-13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).