4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid

C12H23N3O5 — CID 106917206

IUPAC4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-8(10(16)13-2)7-15(3)12(19)14-9(11(17)18)5-6-20-4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWWFZNWRIGFMLGZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.50
Rot. Bonds8

About 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid

4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid (PubChem CID 106917206) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
PubChem CID106917206
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-8(10(16)13-2)7-15(3)12(19)14-9(11(17)18)5-6-20-4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWWFZNWRIGFMLGZ-UHFFFAOYSA-N
XLogP-0.50
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pent-4-enoic acid
CID 106917378
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid (CID 106917206) is 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid is CNC(=O)C(C)CN(C)C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The InChIKey is WWFZNWRIGFMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-8(10(16)13-2)7-15(3)12(19)14-9(11(17)18)5-6-20-4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 106917206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).