4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H20NO4- — CID 53448501

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/p-1
InChIKeyMDXGYYOJGPFFJL-UHFFFAOYSA-M
MW230.28 g/mol
LogP0.68
Rot. Bonds4

About 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 53448501) has the molecular formula C11H20NO4- and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID53448501
Molecular FormulaC11H20NO4-
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/p-1
InChIKeyMDXGYYOJGPFFJL-UHFFFAOYSA-M
XLogP0.68
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
CID 83170
Boc-L-Valine
CID 83693
tert-Butoxycarbonyl-L-isoleucine
CID 2724762
2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
CID 268473
Boc-DL-valine
CID 270655
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
CID 433623
tert-Butoxycarbonyl-D-leucine
CID 637604
(2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acid
CID 637605
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
N-Boc-L-Leucine Hydrate
CID 12373896
Boc-DL-leu-OH H2O
CID 16682082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 53448501) is 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)[O-].
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is MDXGYYOJGPFFJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/p-1.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 230.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 53448501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).