2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C10H19NO4 — CID 11790631

IUPAC2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-6-10(4,5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)
InChIKeyLSZXQEWVQORQBO-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.62
Rot. Bonds3

About 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 11790631) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID11790631
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-6-10(4,5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)
InChIKeyLSZXQEWVQORQBO-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
CID 76809
(3S)-3-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 5706671
3-(Methylamino)propanoic acid, N-BOC protected
CID 2760952
3-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 3666467
(2S)-3-(((tert-butoxy)carbonyl)amino)-2-methylpropanoic acid
CID 12042484
3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
CID 4192640
Methyl 3-(((tert-butoxy)carbonyl)amino)propanoate
CID 11687095
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)butanoic acid
CID 12155293
(S)-2-[(Boc-amino)methyl]-3-methylbutyric acid
CID 45933879
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
(R)-2-((Boc-amino)methyl)-3-methylbutyric acid
CID 44119515
(R)-3-((tert-butoxycarbonyl)amino)butanoic acid
CID 2761507

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 11790631) is 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is LSZXQEWVQORQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-6-10(4,5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13).
What are the key properties of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 11790631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).