4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid

C11H21NO4 — CID 87342926

IUPAC4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
SMILESCC(N)C(C)C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6(7(2)12)8(9(13)14)10(15)16-11(3,4)5/h6-8H,12H2,1-5H3,(H,13,14)
InChIKeyJLRXUTIYNJKNNT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.01
Rot. Bonds4

About 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid

4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid (PubChem CID 87342926) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
PubChem CID87342926
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
SMILESCC(N)C(C)C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6(7(2)12)8(9(13)14)10(15)16-11(3,4)5/h6-8H,12H2,1-5H3,(H,13,14)
InChIKeyJLRXUTIYNJKNNT-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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)-2-[amino(hydroxy)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174431391
(2S)-3-amino-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 87751195
3-amino-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 174431807
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846
2-amino-3-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175598067
(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylbutanoic acid
CID 174297435
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 53444964
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 56923702
ditert-butyl 2-(1-bromoethyl)propanedioate
CID 175061152
2-[amino(cyclopentyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174534601
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 87496644
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The IUPAC name of 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid (CID 87342926) is 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid.
What is the SMILES notation for 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The canonical SMILES for 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid is CC(N)C(C)C(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
The InChIKey is JLRXUTIYNJKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6(7(2)12)8(9(13)14)10(15)16-11(3,4)5/h6-8H,12H2,1-5H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid?
4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid is sourced from PubChem (CID 87342926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).