4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid

C11H14N4O5 — CID 61188024

IUPAC4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H14N4O5/c1-20-9-3-2-6(5-13-9)14-11(19)15-7(10(17)18)4-8(12)16/h2-3,5,7H,4H2,1H3,(H2,12,16)(H,17,18)(H2,14,15,19)
InChIKeyYIBZTIJYMLZXIK-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.46
Rot. Bonds6

About 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid

4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 61188024) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID61188024
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H14N4O5/c1-20-9-3-2-6(5-13-9)14-11(19)15-7(10(17)18)4-8(12)16/h2-3,5,7H,4H2,1H3,(H2,12,16)(H,17,18)(H2,14,15,19)
InChIKeyYIBZTIJYMLZXIK-UHFFFAOYSA-N
XLogP-0.46
TPSA143.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
(2S)-4-amino-2-[(4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 30045195
(2R)-4-amino-2-[(4-ethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825613
(2S)-4-amino-2-[(4-bromo-3-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 82860259
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
(2S)-4-amino-2-[(4-methylsulfanylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716227
4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid (CID 61188024) is 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid is COc1ccc(NC(=O)NC(CC(N)=O)C(=O)O)cn1.
What is the InChIKey of 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is YIBZTIJYMLZXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-20-9-3-2-6(5-13-9)14-11(19)15-7(10(17)18)4-8(12)16/h2-3,5,7H,4H2,1H3,(H2,12,16)(H,17,18)(H2,14,15,19).
What are the key properties of 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid?
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 282.26 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61188024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).