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

C14H26N2O5 — CID 175539405

IUPACmethyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C14H26N2O5/c1-9(15-13(19)21-14(2,3)4)8-10(12(18)20-7)11(17)16(5)6/h9-10H,8H2,1-7H3,(H,15,19)
InChIKeyFERFVIHQZQHMKH-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.17
Rot. Bonds5

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

methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 175539405) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID175539405
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namemethyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C14H26N2O5/c1-9(15-13(19)21-14(2,3)4)8-10(12(18)20-7)11(17)16(5)6/h9-10H,8H2,1-7H3,(H,15,19)
InChIKeyFERFVIHQZQHMKH-UHFFFAOYSA-N
XLogP1.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

trimethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1,1,3-tricarboxylate
CID 10806529
methyl (2S)-3-hydroxy-2-[[(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 10592678
1-O-tert-butyl 1-O,3-O-dimethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1,1,3-tricarboxylate
CID 11440260
tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 129247710
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 89440433
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
3-O,3-O-ditert-butyl 1-O,1-O-dimethyl propane-1,1,3,3-tetracarboxylate
CID 141234633

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 175539405) is methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(CC(C)NC(=O)OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is FERFVIHQZQHMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(15-13(19)21-14(2,3)4)8-10(12(18)20-7)11(17)16(5)6/h9-10H,8H2,1-7H3,(H,15,19).
What are the key properties of methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 302.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 175539405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).