2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid

C11H18N2O3 — CID 114617990

IUPAC2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
SMILESC=C(C)CNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H18N2O3/c1-8(2)7-12-10(16)13-11(4-3-5-11)6-9(14)15/h1,3-7H2,2H3,(H,14,15)(H2,12,13,16)
InChIKeyJBRRTPIIKUCRSB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 114617990) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID114617990
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
SMILESC=C(C)CNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H18N2O3/c1-8(2)7-12-10(16)13-11(4-3-5-11)6-9(14)15/h1,3-7H2,2H3,(H,14,15)(H2,12,13,16)
InChIKeyJBRRTPIIKUCRSB-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
4-Ethyl-6-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]hexanoic acid
CID 64350083
6-[[Ethyl(2-methylprop-2-enyl)carbamoyl]amino]-4-methylhexanoic acid
CID 64366390
2-[1-[2-[Di(propan-2-yl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79841818
2-[1-[[3-(Butan-2-ylamino)-3-oxopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842482
2-[1-[4-[Methyl(propan-2-yl)amino]butylcarbamoylamino]cyclobutyl]acetic acid
CID 79842486
2-[1-[[Ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[Butan-2-yl(ethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845179
2-[1-[[Methyl(pentyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845287
2-[1-[[Methyl(2-methylbutyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845288
2-[1-(Cyclopropylmethylcarbamoylamino)cyclobutyl]acetic acid
CID 79845369
2-[1-[[Methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid (CID 114617990) is 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid is C=C(C)CNC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is JBRRTPIIKUCRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)7-12-10(16)13-11(4-3-5-11)6-9(14)15/h1,3-7H2,2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 114617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).