4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid

C11H19NO5 — CID 138963736

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid
SMILESCC(C)(C)OC(=O)N(CC=O)CCCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(7-8-13)6-4-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyRAGPDSJPTHKNKA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.29
Rot. Bonds6

About 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid

4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid (PubChem CID 138963736) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid
PubChem CID138963736
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid
SMILESCC(C)(C)OC(=O)N(CC=O)CCCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(7-8-13)6-4-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyRAGPDSJPTHKNKA-UHFFFAOYSA-N
XLogP1.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
(4S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
CID 22872704
4-[Methyl(2-methylpropoxycarbonyl)amino]butanoic acid
CID 43151871
4,4'-((tert-Butoxycarbonyl)azanediyl)dibutyric acid
CID 44474101
4-((tert-Butoxycarbonyl)(ethyl)amino)butanoic acid
CID 57606003
4-[(2-Methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 88133534
2-Methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid
CID 88137253
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]butanoic acid
CID 89026241
Methyl 4-((tert-butoxycarbonyl)(ethyl)amino)butanoate
CID 89053019
4-(Bis(tert-butoxycarbonyl)amino)butanoic acid
CID 91473800
2-[4-Hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 122590955
tert-butyl N-(4-hydroxybutyl)-N-(2-oxopropyl)carbamate
CID 134453094

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid (CID 138963736) is 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid is CC(C)(C)OC(=O)N(CC=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid?
The InChIKey is RAGPDSJPTHKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(7-8-13)6-4-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid has a molecular weight of 245.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]butanoic acid is sourced from PubChem (CID 138963736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).