methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate

C14H22N2O3 — CID 10989203

IUPACmethyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate
SMILESC=CC1=CC[C@@](N)(C(=O)N[C@@H](C(=O)OC)C(C)C)C1
InChIInChI=1S/C14H22N2O3/c1-5-10-6-7-14(15,8-10)13(18)16-11(9(2)3)12(17)19-4/h5-6,9,11H,1,7-8,15H2,2-4H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyRGIXOQRRJMMFLD-RISCZKNCSA-N
MW266.34 g/mol
LogP0.90
Rot. Bonds5

About methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate

methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate (PubChem CID 10989203) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate
PubChem CID10989203
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate
SMILESC=CC1=CC[C@@](N)(C(=O)N[C@@H](C(=O)OC)C(C)C)C1
InChIInChI=1S/C14H22N2O3/c1-5-10-6-7-14(15,8-10)13(18)16-11(9(2)3)12(17)19-4/h5-6,9,11H,1,7-8,15H2,2-4H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyRGIXOQRRJMMFLD-RISCZKNCSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

methyl 2-[(3,5-dihydroxybenzoyl)amino]-3-methylbutanoate
CID 113347317
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
methyl 2-[(1-carbamothioylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 80589000
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
CID 43405155
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
methyl 2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate
CID 43406016
methyl (2S)-2-[[(2R,3S)-3-amino-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-3-methylbutanoate
CID 42644734

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate (CID 10989203) is methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate is C=CC1=CC[C@@](N)(C(=O)N[C@@H](C(=O)OC)C(C)C)C1.
What is the InChIKey of methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate?
The InChIKey is RGIXOQRRJMMFLD-RISCZKNCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-10-6-7-14(15,8-10)13(18)16-11(9(2)3)12(17)19-4/h5-6,9,11H,1,7-8,15H2,2-4H3,(H,16,18)/t11-,14+/m1/s1.
What are the key properties of methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate?
methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate has a molecular weight of 266.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(1S)-1-amino-3-ethenylcyclopent-3-ene-1-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 10989203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).