5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O4 — CID 81084970

IUPAC5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)NCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-16-8-9(7-14-16)6-13-12(19)15-10(11(17)18)4-3-5-20-2/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H2,13,15,19)
InChIKeyIVKYVLSNADAPCL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.10
Rot. Bonds8

About 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid

5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 81084970) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID81084970
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)NCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-16-8-9(7-14-16)6-13-12(19)15-10(11(17)18)4-3-5-20-2/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H2,13,15,19)
InChIKeyIVKYVLSNADAPCL-UHFFFAOYSA-N
XLogP0.10
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-amino-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719403
2-(1H-imidazol-5-ylmethylcarbamoylamino)-5-methoxypentanoic acid
CID 81081195
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
5-methoxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 81081279
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 82873698
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid
CID 81077834
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 81084970) is 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid is COCCCC(NC(=O)NCc1cnn(C)c1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is IVKYVLSNADAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-16-8-9(7-14-16)6-13-12(19)15-10(11(17)18)4-3-5-20-2/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H2,13,15,19).
What are the key properties of 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 81084970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).