2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid

C12H22N2O3 — CID 103263385

IUPAC2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)CNC(=O)CCNC1CCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-14-11(15)5-6-13-10-4-3-9(10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYCIXTOQWBOQJQK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds7

About 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid

2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 103263385) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
PubChem CID103263385
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)CNC(=O)CCNC1CCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-14-11(15)5-6-13-10-4-3-9(10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYCIXTOQWBOQJQK-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
(1S,6R)-6-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962692
3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 106821612
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783011
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 103260441
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid (CID 103263385) is 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid is CC(C)CNC(=O)CCNC1CCC1C(=O)O.
What is the InChIKey of 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is YCIXTOQWBOQJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-14-11(15)5-6-13-10-4-3-9(10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid?
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103263385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).