2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid

C12H22N2O4 — CID 102699640

IUPAC2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCOC(C)CNC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H22N2O4/c1-9(18-2)7-13-11(17)14-8-12(4-3-5-12)6-10(15)16/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyBXJMGZIGYAVFAP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.97
Rot. Bonds7

About 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 102699640) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID102699640
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCOC(C)CNC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H22N2O4/c1-9(18-2)7-13-11(17)14-8-12(4-3-5-12)6-10(15)16/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyBXJMGZIGYAVFAP-UHFFFAOYSA-N
XLogP0.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[(3-methylsulfanylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 113494169
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 102694595
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 106294972

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 102699640) is 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid is COC(C)CNC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is BXJMGZIGYAVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(18-2)7-13-11(17)14-8-12(4-3-5-12)6-10(15)16/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 102699640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).