2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid

C10H14N4O5 — CID 102806525

IUPAC2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCc1nn(C)cc1NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H14N4O5/c1-6-7(3-13(2)12-6)11-10(19)14(4-8(15)16)5-9(17)18/h3H,4-5H2,1-2H3,(H,11,19)(H,15,16)(H,17,18)
InChIKeyQKSDPHKDHCVZBF-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.27
Rot. Bonds5

About 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid (PubChem CID 102806525) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
PubChem CID102806525
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCc1nn(C)cc1NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H14N4O5/c1-6-7(3-13(2)12-6)11-10(19)14(4-8(15)16)5-9(17)18/h3H,4-5H2,1-2H3,(H,11,19)(H,15,16)(H,17,18)
InChIKeyQKSDPHKDHCVZBF-UHFFFAOYSA-N
XLogP-0.27
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115991357
3-(dimethylamino)-N-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropanamide
CID 166390710
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
3-(1,3-dimethylpyrazol-4-yl)-1-methyl-1-[2-(4-methylphenyl)sulfanylethyl]urea
CID 72885623
2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
CID 107438074
N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 102805642

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid (CID 102806525) is 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid is Cc1nn(C)cc1NC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is QKSDPHKDHCVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-6-7(3-13(2)12-6)11-10(19)14(4-8(15)16)5-9(17)18/h3H,4-5H2,1-2H3,(H,11,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 102806525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).