(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid

C11H22AsNO4 — CID 173000257

IUPAC(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid
SMILESCC(C)(C)OC(=O)[AsH]CC(C)(C)[C@H](N)C(=O)O
InChIInChI=1S/C11H22AsNO4/c1-10(2,3)17-9(16)12-6-11(4,5)7(13)8(14)15/h7,12H,6,13H2,1-5H3,(H,14,15)/t7-/m1/s1
InChIKeyBZODIPIBSZVNEI-SSDOTTSWSA-N
MW307.22 g/mol
LogP1.21
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid

(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid (PubChem CID 173000257) has the molecular formula C11H22AsNO4 and a molecular weight of 307.22 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid
PubChem CID173000257
Molecular FormulaC11H22AsNO4
Molecular Weight307.22 g/mol
Exact Mass307.08
IUPAC Name(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid
SMILESCC(C)(C)OC(=O)[AsH]CC(C)(C)[C@H](N)C(=O)O
InChIInChI=1S/C11H22AsNO4/c1-10(2,3)17-9(16)12-6-11(4,5)7(13)8(14)15/h7,12H,6,13H2,1-5H3,(H,14,15)/t7-/m1/s1
InChIKeyBZODIPIBSZVNEI-SSDOTTSWSA-N
XLogP1.21
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246
(2R)-2-amino-3-(3-hydroxypropylsulfanyl)-3-methylbutanoic acid
CID 106442193
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
CID 174434996
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
2-amino-3,3,5,5-tetramethyl-6-sulfanylhexanoic acid
CID 88863412
3-amino-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 174431807
(2S)-2-amino-3-(6-hydroxyhexylsulfanyl)-3-methylbutanoic acid
CID 106443145
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid (CID 173000257) is (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid is CC(C)(C)OC(=O)[AsH]CC(C)(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid?
The InChIKey is BZODIPIBSZVNEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H22AsNO4/c1-10(2,3)17-9(16)12-6-11(4,5)7(13)8(14)15/h7,12H,6,13H2,1-5H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid?
(2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid has a molecular weight of 307.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylarsanyl]butanoic acid is sourced from PubChem (CID 173000257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).