2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid

C10H16N4O3 — CID 61440246

IUPAC2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C10H16N4O3/c1-12(5-8-4-11-14(3)6-8)10(17)13(2)7-9(15)16/h4,6H,5,7H2,1-3H3,(H,15,16)
InChIKeyXMOOHLSGMYAXRS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.01
Rot. Bonds4

About 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid

2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 61440246) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID61440246
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C10H16N4O3/c1-12(5-8-4-11-14(3)6-8)10(17)13(2)7-9(15)16/h4,6H,5,7H2,1-3H3,(H,15,16)
InChIKeyXMOOHLSGMYAXRS-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
CID 61439912
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (CID 61440246) is 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is XMOOHLSGMYAXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12(5-8-4-11-14(3)6-8)10(17)13(2)7-9(15)16/h4,6H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 61440246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).