3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid

C9H15NO4 — CID 106931571

IUPAC3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
SMILESCC(COCC1CC1)(C(N)=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(7(10)11,8(12)13)5-14-4-6-2-3-6/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyDOUZBLSZGKCRPW-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.01
Rot. Bonds6

About 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid

3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid (PubChem CID 106931571) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
PubChem CID106931571
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
SMILESCC(COCC1CC1)(C(N)=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(7(10)11,8(12)13)5-14-4-6-2-3-6/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyDOUZBLSZGKCRPW-UHFFFAOYSA-N
XLogP-0.01
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
2-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
2-amino-3-(cyclopentylmethoxy)-2-cyclopropylpropanoic acid
CID 66321825
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200322
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
2-cyclopropyl-2-(cyclopropylmethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106931599
(2S)-3-(cyclopropylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70225196
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 55066400
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
2-cyclopropyl-3-(cyclopropylmethoxy)-2-methylpropan-1-ol
CID 106931309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid (CID 106931571) is 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid is CC(COCC1CC1)(C(N)=O)C(=O)O.
What is the InChIKey of 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid?
The InChIKey is DOUZBLSZGKCRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(7(10)11,8(12)13)5-14-4-6-2-3-6/h6H,2-5H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid?
3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 106931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).