methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate

C14H28N2O4 — CID 3409268

IUPACmethyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate
SMILESCCC(C)C(NC(=O)NCCCOC(C)C)C(=O)OC
InChIInChI=1S/C14H28N2O4/c1-6-11(4)12(13(17)19-5)16-14(18)15-8-7-9-20-10(2)3/h10-12H,6-9H2,1-5H3,(H2,15,16,18)
InChIKeyMVWYTRVSJIPQJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.69
Rot. Bonds9

About methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate

methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate (PubChem CID 3409268) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate
PubChem CID3409268
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namemethyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate
SMILESCCC(C)C(NC(=O)NCCCOC(C)C)C(=O)OC
InChIInChI=1S/C14H28N2O4/c1-6-11(4)12(13(17)19-5)16-14(18)15-8-7-9-20-10(2)3/h10-12H,6-9H2,1-5H3,(H2,15,16,18)
InChIKeyMVWYTRVSJIPQJV-UHFFFAOYSA-N
XLogP1.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-ethoxypropylcarbamoylamino)-3-methylpentanoate
CID 3755808
methyl (2S)-2-(3-butoxypropylcarbamoylamino)-3-methylpentanoate
CID 16682459
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
methyl 3-methyl-2-(3-phenylpropylcarbamoylamino)pentanoate
CID 3571846
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2S,3S)-2-(3-carboxypropylcarbamoylamino)-3-methylpentanoic acid
CID 146684677
2-(heptylcarbamoylamino)-3-methylpentanoic acid
CID 3390588
4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
CID 5023520
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 83203760
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate (CID 3409268) is methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate is CCC(C)C(NC(=O)NCCCOC(C)C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate?
The InChIKey is MVWYTRVSJIPQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-6-11(4)12(13(17)19-5)16-14(18)15-8-7-9-20-10(2)3/h10-12H,6-9H2,1-5H3,(H2,15,16,18).
What are the key properties of methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate?
methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate has a molecular weight of 288.39 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate is sourced from PubChem (CID 3409268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).