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

C10H19NO4 — CID 10656390

IUPAC4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11(4)7-5-6-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyPXAKQDWAISFHCM-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.72
Rot. Bonds4

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

4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (PubChem CID 10656390) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
PubChem CID10656390
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11(4)7-5-6-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyPXAKQDWAISFHCM-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 294894
3-(Methylamino)propanoic acid, N-BOC protected
CID 2760952
(3R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CID 1512491
(3S)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CID 1512492
1-((Tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acid
CID 2760529
2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acid
CID 11095989
2-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid
CID 68209765
3-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 19097327
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
(3R)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 22845904
4-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)butanoic acid
CID 90397912
2-(1-((Tert-butoxy)carbonyl)-3-methylazetidin-3-yl)acetic acid
CID 97294503

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (CID 10656390) is 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The InChIKey is PXAKQDWAISFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11(4)7-5-6-8(12)13/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is sourced from PubChem (CID 10656390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).