2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid

C12H21NO3 — CID 119358847

IUPAC2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid
SMILESCCCC1(C(=O)N(C)C(C)C(=O)O)CCC1
InChIInChI=1S/C12H21NO3/c1-4-6-12(7-5-8-12)11(16)13(3)9(2)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeySQESFHRXOWPNLE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds5

About 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid

2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid (PubChem CID 119358847) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid
PubChem CID119358847
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid
SMILESCCCC1(C(=O)N(C)C(C)C(=O)O)CCC1
InChIInChI=1S/C12H21NO3/c1-4-6-12(7-5-8-12)11(16)13(3)9(2)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeySQESFHRXOWPNLE-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
CID 81169408
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
1-propylcyclooctane-1-carboxylic acid
CID 80611944
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 114042027
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
1-(hydroxymethyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183973
N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 104556120
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
N-methyl-1-(methylaminomethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 115183656
2-(1-propylcyclodecanecarbonyl)pentanoic acid
CID 140699376
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
CID 64678457

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid (CID 119358847) is 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid is CCCC1(C(=O)N(C)C(C)C(=O)O)CCC1.
What is the InChIKey of 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is SQESFHRXOWPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-6-12(7-5-8-12)11(16)13(3)9(2)10(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid?
2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 119358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).