4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid

C11H18N4O4 — CID 82873698

IUPAC4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-15-5-3-8(14-15)7-12-11(18)13-9(10(16)17)4-6-19-2/h3,5,9H,4,6-7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyIVCLVRLDMJBBAH-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.29
Rot. Bonds7

About 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid

4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid (PubChem CID 82873698) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
PubChem CID82873698
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-15-5-3-8(14-15)7-12-11(18)13-9(10(16)17)4-6-19-2/h3,5,9H,4,6-7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyIVCLVRLDMJBBAH-UHFFFAOYSA-N
XLogP-0.29
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82874077
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
(2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 106106046
2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid
CID 62480791
5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 81084970
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 82873758
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
CID 82731415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid (CID 82873698) is 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid is COCCC(NC(=O)NCc1ccn(C)n1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is IVCLVRLDMJBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-15-5-3-8(14-15)7-12-11(18)13-9(10(16)17)4-6-19-2/h3,5,9H,4,6-7H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 82873698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).