2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

C10H19NO4 — CID 132932452

IUPAC2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
SMILESCCC(NC)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-10(11-5,7(12)13)8(14)15-9(2,3)4/h11H,6H2,1-5H3,(H,12,13)
InChIKeyPZOGIGYLQCQKQO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds4

About 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid (PubChem CID 132932452) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
PubChem CID132932452
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
SMILESCCC(NC)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-10(11-5,7(12)13)8(14)15-9(2,3)4/h11H,6H2,1-5H3,(H,12,13)
InChIKeyPZOGIGYLQCQKQO-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 122703475
2-(methylamino)-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohexanoic acid
CID 174860183
(2R)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid
CID 70020048
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate
CID 174110227
3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 151789983
3-tert-butyl-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanedioic acid
CID 154825274
3-O-tert-butyl 1-O-methyl (2R)-2-ethyl-2-fluoropropanedioate
CID 25265204
4-iodo-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 174484688
(2S)-2-amino-4-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxobutanoic acid
CID 150911760
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The IUPAC name of 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid (CID 132932452) is 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid.
What is the SMILES notation for 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The canonical SMILES for 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid is CCC(NC)(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The InChIKey is PZOGIGYLQCQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-10(11-5,7(12)13)8(14)15-9(2,3)4/h11H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid is sourced from PubChem (CID 132932452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).