2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid

C10H16N4O4 — CID 114256149

IUPAC2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
SMILESCOc1cc(CNC(=O)N(C)CC(=O)O)nn1C
InChIInChI=1S/C10H16N4O4/c1-13(6-9(15)16)10(17)11-5-7-4-8(18-3)14(2)12-7/h4H,5-6H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyAOUSJYCFSVOCSZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid

2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid (PubChem CID 114256149) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
PubChem CID114256149
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
SMILESCOc1cc(CNC(=O)N(C)CC(=O)O)nn1C
InChIInChI=1S/C10H16N4O4/c1-13(6-9(15)16)10(17)11-5-7-4-8(18-3)14(2)12-7/h4H,5-6H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyAOUSJYCFSVOCSZ-UHFFFAOYSA-N
XLogP-0.35
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
CID 114255881
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 114255871
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255775
3,3,3-trifluoro-2-[[(5-methoxy-1-methylpyrazol-3-yl)methylamino]methyl]propanoic acid
CID 114256089

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid (CID 114256149) is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid is COc1cc(CNC(=O)N(C)CC(=O)O)nn1C.
What is the InChIKey of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid?
The InChIKey is AOUSJYCFSVOCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-13(6-9(15)16)10(17)11-5-7-4-8(18-3)14(2)12-7/h4H,5-6H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid?
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid is sourced from PubChem (CID 114256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).