4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid

C11H18N4O4 — CID 64895222

IUPAC4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
SMILESCOCCn1cc(NC(=O)C(N)CCC(=O)O)cn1
InChIInChI=1S/C11H18N4O4/c1-19-5-4-15-7-8(6-13-15)14-11(18)9(12)2-3-10(16)17/h6-7,9H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyNGOHDKADAZEFBX-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.34
Rot. Bonds8

About 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid

4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid (PubChem CID 64895222) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
PubChem CID64895222
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
SMILESCOCCn1cc(NC(=O)C(N)CCC(=O)O)cn1
InChIInChI=1S/C11H18N4O4/c1-19-5-4-15-7-8(6-13-15)14-11(18)9(12)2-3-10(16)17/h6-7,9H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyNGOHDKADAZEFBX-UHFFFAOYSA-N
XLogP-0.34
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 115286389
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid (CID 64895222) is 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid is COCCn1cc(NC(=O)C(N)CCC(=O)O)cn1.
What is the InChIKey of 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid?
The InChIKey is NGOHDKADAZEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-19-5-4-15-7-8(6-13-15)14-11(18)9(12)2-3-10(16)17/h6-7,9H,2-5,12H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid?
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64895222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).