2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

C11H18N4O3 — CID 82873693

IUPAC2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-4-9(10(16)17)15(3)11(18)12-7-8-5-6-14(2)13-8/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyPRBNVOUHBAQVJO-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds5

About 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 82873693) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID82873693
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-4-9(10(16)17)15(3)11(18)12-7-8-5-6-14(2)13-8/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyPRBNVOUHBAQVJO-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
CID 82873833
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82872604
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
CID 55206343
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (CID 82873693) is 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is PRBNVOUHBAQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-9(10(16)17)15(3)11(18)12-7-8-5-6-14(2)13-8/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 82873693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).