3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

C11H21NO4 — CID 151789983

IUPAC3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
SMILESCCC(C(=O)O)(C(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C11H21NO4/c1-6-11(7(2)12,8(13)14)9(15)16-10(3,4)5/h7H,6,12H2,1-5H3,(H,13,14)
InChIKeyRWKLONDDBDCPAZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid (PubChem CID 151789983) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid.

Molecular Properties

Compound Name3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
PubChem CID151789983
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
SMILESCCC(C(=O)O)(C(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C11H21NO4/c1-6-11(7(2)12,8(13)14)9(15)16-10(3,4)5/h7H,6,12H2,1-5H3,(H,13,14)
InChIKeyRWKLONDDBDCPAZ-UHFFFAOYSA-N
XLogP1.16
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.16
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

3-tert-butyl-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanedioic acid
CID 154825274
3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
CID 88689806
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
(2S)-2-(aminomethyl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 54139395
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 132932452
tert-butyl 2-ethyl-4,4-dimethyl-2-propan-2-ylpentanoate
CID 123297352
2-amino-5,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 151039788
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The IUPAC name of 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid (CID 151789983) is 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid.
What is the SMILES notation for 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The canonical SMILES for 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid is CCC(C(=O)O)(C(=O)OC(C)(C)C)C(C)N.
What is the InChIKey of 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
The InChIKey is RWKLONDDBDCPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-11(7(2)12,8(13)14)9(15)16-10(3,4)5/h7H,6,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid?
3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid is sourced from PubChem (CID 151789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).