methyl (2S)-2-(cyclobutanecarbonylamino)propanoate

C9H15NO3 — CID 22216350

IUPACmethyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C9H15NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWICNXZQIFALKSA-LURJTMIESA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds3

About methyl (2S)-2-(cyclobutanecarbonylamino)propanoate

methyl (2S)-2-(cyclobutanecarbonylamino)propanoate (PubChem CID 22216350) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2S)-2-(cyclobutanecarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclobutanecarbonylamino)propanoate
PubChem CID22216350
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C9H15NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWICNXZQIFALKSA-LURJTMIESA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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methyl 2-[(2S)-2-amino-4-methylpentanamido]acetate
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methyl (2R)-2-acetamidopentanoate
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methyl (2S)-2-[(2S)-2-amino-4-methylpentanamido]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(cyclobutanecarbonylamino)propanoate (CID 22216350) is methyl (2S)-2-(cyclobutanecarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(cyclobutanecarbonylamino)propanoate is COC(=O)[C@H](C)NC(=O)C1CCC1.
What is the InChIKey of methyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The InChIKey is WICNXZQIFALKSA-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
methyl (2S)-2-(cyclobutanecarbonylamino)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(cyclobutanecarbonylamino)propanoate is sourced from PubChem (CID 22216350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).