(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid

C12H21NO6 — CID 54551966

IUPAC(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13(4)8(10(15)16)6-7-9(14)18-5/h8H,6-7H2,1-5H3,(H,15,16)/t8-/m0/s1
InChIKeyZKNHSXSCXRYJHZ-QMMMGPOBSA-N
MW275.30 g/mol
LogP1.26
Rot. Bonds5

About (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid (PubChem CID 54551966) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
PubChem CID54551966
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13(4)8(10(15)16)6-7-9(14)18-5/h8H,6-7H2,1-5H3,(H,15,16)/t8-/m0/s1
InChIKeyZKNHSXSCXRYJHZ-QMMMGPOBSA-N
XLogP1.26
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid (CID 54551966) is (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The InChIKey is ZKNHSXSCXRYJHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13(4)8(10(15)16)6-7-9(14)18-5/h8H,6-7H2,1-5H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 54551966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).