(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid

C11H18N2O5 — CID 113311705

IUPAC(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-8(14)5-7(9(15)16)13-10(17)11(6-12)3-2-4-11/h7H,2-6,12H2,1H3,(H,13,17)(H,15,16)/t7-/m0/s1
InChIKeyVIQUUGAVQODCDC-ZETCQYMHSA-N
MW258.27 g/mol
LogP-0.75
Rot. Bonds6

About (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 113311705) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
PubChem CID113311705
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-8(14)5-7(9(15)16)13-10(17)11(6-12)3-2-4-11/h7H,2-6,12H2,1H3,(H,13,17)(H,15,16)/t7-/m0/s1
InChIKeyVIQUUGAVQODCDC-ZETCQYMHSA-N
XLogP-0.75
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid with MolForge

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Related Compounds

2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate
CID 113358128
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]pentanedioic acid
CID 113311657
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 103870495
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
(2R)-2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]hexanedioic acid
CID 107835682
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methoxybutanoic acid
CID 115439531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid (CID 113311705) is (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)C1(CN)CCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is VIQUUGAVQODCDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-8(14)5-7(9(15)16)13-10(17)11(6-12)3-2-4-11/h7H,2-6,12H2,1H3,(H,13,17)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 113311705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).