4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid

C10H20N2O4 — CID 80540820

IUPAC4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
SMILESCOCC(C)NC(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(9(13)14)4-5-11-10(15)12-8(2)6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyMNQGUYPUTFATGK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.43
Rot. Bonds7

About 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid

4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid (PubChem CID 80540820) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
PubChem CID80540820
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
SMILESCOCC(C)NC(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(9(13)14)4-5-11-10(15)12-8(2)6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyMNQGUYPUTFATGK-UHFFFAOYSA-N
XLogP0.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 104829285
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612562
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
CID 64604896
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid (CID 80540820) is 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid is COCC(C)NC(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid?
The InChIKey is MNQGUYPUTFATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(9(13)14)4-5-11-10(15)12-8(2)6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid?
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).