2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid

C7H11N3O3 — CID 154882062

IUPAC2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid
SMILESCOCn1cc(NCC(=O)O)cn1
InChIInChI=1S/C7H11N3O3/c1-13-5-10-4-6(2-9-10)8-3-7(11)12/h2,4,8H,3,5H2,1H3,(H,11,12)
InChIKeyZWCZYGSZHDIHPV-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.02
Rot. Bonds5

About 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid

2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid (PubChem CID 154882062) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid
PubChem CID154882062
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid
SMILESCOCn1cc(NCC(=O)O)cn1
InChIInChI=1S/C7H11N3O3/c1-13-5-10-4-6(2-9-10)8-3-7(11)12/h2,4,8H,3,5H2,1H3,(H,11,12)
InChIKeyZWCZYGSZHDIHPV-UHFFFAOYSA-N
XLogP-0.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid (CID 154882062) is 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid is COCn1cc(NCC(=O)O)cn1.
What is the InChIKey of 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid?
The InChIKey is ZWCZYGSZHDIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-13-5-10-4-6(2-9-10)8-3-7(11)12/h2,4,8H,3,5H2,1H3,(H,11,12).
What are the key properties of 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid?
2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid is sourced from PubChem (CID 154882062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).