methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate

C9H16N2O3 — CID 81169291

IUPACmethyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(N)CCC1
InChIInChI=1S/C9H16N2O3/c1-6(7(12)14-2)11-8(13)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyJRFDBYKVWPIWJL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.45
Rot. Bonds3

About methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate

methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate (PubChem CID 81169291) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
PubChem CID81169291
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(N)CCC1
InChIInChI=1S/C9H16N2O3/c1-6(7(12)14-2)11-8(13)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyJRFDBYKVWPIWJL-UHFFFAOYSA-N
XLogP-0.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 93315430
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
1-amino-N-(1-methoxy-3-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 81169544
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
CID 80599690
1-amino-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119327569
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60944631
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292056
1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate (CID 81169291) is methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1(N)CCC1.
What is the InChIKey of methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate?
The InChIKey is JRFDBYKVWPIWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(7(12)14-2)11-8(13)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate?
methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate is sourced from PubChem (CID 81169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).