(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid

C17H31NO6 — CID 11089264

IUPAC(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H31NO6/c1-10(2)8-12(18-16(22)24-17(5,6)7)15(21)23-13(14(19)20)9-11(3)4/h10-13H,8-9H2,1-7H3,(H,18,22)(H,19,20)/t12-,13-/m0/s1
InChIKeyLNYXCZRSXRVQIG-STQMWFEESA-N
MW345.44 g/mol
LogP2.97
Rot. Bonds8

About (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid

(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid (PubChem CID 11089264) has the molecular formula C17H31NO6 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
PubChem CID11089264
Molecular FormulaC17H31NO6
Molecular Weight345.44 g/mol
Exact Mass345.22
IUPAC Name(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H31NO6/c1-10(2)8-12(18-16(22)24-17(5,6)7)15(21)23-13(14(19)20)9-11(3)4/h10-13H,8-9H2,1-7H3,(H,18,22)(H,19,20)/t12-,13-/m0/s1
InChIKeyLNYXCZRSXRVQIG-STQMWFEESA-N
XLogP2.97
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
(2S)-4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypentanoic acid
CID 59912082
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl] 3-methyl-2-propan-2-ylbutanoate
CID 174639257
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
(2S)-3,3-dimethyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 54291347
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
(2S)-4-methyl-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 175279447
3-bromopropanamide;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174666791
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid (CID 11089264) is (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid?
The InChIKey is LNYXCZRSXRVQIG-STQMWFEESA-N. The full InChI is InChI=1S/C17H31NO6/c1-10(2)8-12(18-16(22)24-17(5,6)7)15(21)23-13(14(19)20)9-11(3)4/h10-13H,8-9H2,1-7H3,(H,18,22)(H,19,20)/t12-,13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid?
(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid has a molecular weight of 345.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid is sourced from PubChem (CID 11089264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).