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

C11H18N4O3 — CID 121496520

IUPAC2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXCJOXORYSGNIJW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.52
Rot. Bonds6

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

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 121496520) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID121496520
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXCJOXORYSGNIJW-UHFFFAOYSA-N
XLogP0.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 121496517
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
CID 131935332
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
CID 62125880
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
CID 95122747
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
CID 91762094

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (CID 121496520) is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is CCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is XCJOXORYSGNIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 121496520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).