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

C11H19NO4 — CID 22928380

IUPAC2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)12(8-5-6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyMXFDTAAFXOYLGV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds3

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

2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 22928380) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID22928380
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)12(8-5-6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyMXFDTAAFXOYLGV-UHFFFAOYSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Boc-N-methyl-L-valine
CID 7010608
2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
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CID 7009590
2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
CID 23033833
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
1-(((Tert-butoxy)carbonyl)(methyl)amino)cyclopropane-1-carboxylic acid
CID 14358262
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 22928380) is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is MXFDTAAFXOYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(9(13)14)12(8-5-6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 22928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).