2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

C14H28N2O4 — CID 176672908

IUPAC2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCOC(C)COC(=O)C(NC(=O)C(N)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-8(2)11(15)13(17)16-12(9(3)4)14(18)20-7-10(5)19-6/h8-12H,7,15H2,1-6H3,(H,16,17)
InChIKeyYEMMDYAPQLISIG-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.69
Rot. Bonds8

About 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (PubChem CID 176672908) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
PubChem CID176672908
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCOC(C)COC(=O)C(NC(=O)C(N)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-8(2)11(15)13(17)16-12(9(3)4)14(18)20-7-10(5)19-6/h8-12H,7,15H2,1-6H3,(H,16,17)
InChIKeyYEMMDYAPQLISIG-UHFFFAOYSA-N
XLogP0.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxybenzaldehyde;2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 177339941
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
methyl (2S)-2-[(2-amino-3-methoxypropanoyl)amino]-3-methylbutanoate
CID 81083004
2-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropyl 4-acetyloxybenzoate
CID 176672924
2-[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropyl 4-acetyloxybenzoate
CID 176672885
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The IUPAC name of 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (CID 176672908) is 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.
What is the SMILES notation for 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The canonical SMILES for 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate is COC(C)COC(=O)C(NC(=O)C(N)C(C)C)C(C)C.
What is the InChIKey of 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The InChIKey is YEMMDYAPQLISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-8(2)11(15)13(17)16-12(9(3)4)14(18)20-7-10(5)19-6/h8-12H,7,15H2,1-6H3,(H,16,17).
What are the key properties of 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate has a molecular weight of 288.39 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 176672908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).