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

C11H21NO4 — CID 42656887

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-7-12(8-6-9(13)14)10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,13,14)
InChIKeyZBYMPZLHNAZXLC-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds5

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

3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid (PubChem CID 42656887) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
PubChem CID42656887
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-7-12(8-6-9(13)14)10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,13,14)
InChIKeyZBYMPZLHNAZXLC-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
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
3-{[(Tert-butoxy)carbonyl](2-carboxyethyl)amino}propanoic acid
CID 15666718
1-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
CID 25260274
3-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 19097327
3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735644
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-(((Tert-butoxy)carbonyl)(methyl)amino)-2-methylpropanoic acid
CID 19854541
3-{[(Tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacid
CID 22346961
3-(((Tert-butoxy)carbonyl)(prop-2-en-1-yl)amino)propanoic acid
CID 22645368
(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 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid (CID 42656887) is 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid is CCCN(CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid?
The InChIKey is ZBYMPZLHNAZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-7-12(8-6-9(13)14)10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid is sourced from PubChem (CID 42656887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).