2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid

C11H21N3O5 — CID 62480788

IUPAC2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC(=O)NC)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(7-9(15)12-2)11(18)13-8(10(16)17)5-6-19-3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVNIQUYPZADNCDZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.75
Rot. Bonds8

About 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid

2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62480788) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62480788
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC(=O)NC)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(7-9(15)12-2)11(18)13-8(10(16)17)5-6-19-3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVNIQUYPZADNCDZ-UHFFFAOYSA-N
XLogP-0.75
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid with MolForge

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Related Compounds

2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62475235
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid (CID 62480788) is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid is CCN(CC(=O)NC)C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is VNIQUYPZADNCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-14(7-9(15)12-2)11(18)13-8(10(16)17)5-6-19-3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid?
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).