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

C10H19NO4 — CID 19854541

IUPAC2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(8(12)13)6-11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13)
InChIKeyCRADIPLTWJTMTH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.57
Rot. Bonds3

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

2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 19854541) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID19854541
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(8(12)13)6-11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13)
InChIKeyCRADIPLTWJTMTH-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Boc-Azetidine-3-carboxylic acid
CID 2755981
3-(Methylamino)propanoic acid, N-BOC protected
CID 2760952
(2S)-3-(((tert-butoxy)carbonyl)amino)-2-methylpropanoic acid
CID 12042484
3-{[(Tert-butoxy)carbonyl](2-carboxyethyl)amino}propanoic acid
CID 15666718
3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
CID 4192640
1-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
CID 25260274
1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
3-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 19097327
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-{[(Tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacid
CID 22346961
(3R)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 22845904
1-((Tert-butoxy)carbonyl)-3-methylazetidine-3-carboxylic acid
CID 53234194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 19854541) is 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(CN(C)C(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is CRADIPLTWJTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(8(12)13)6-11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 19854541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).