(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid

C15H19N3O3 — CID 122037992

IUPAC(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
SMILESCOCCn1cc(CN[C@@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H19N3O3/c1-21-8-7-18-11-12(10-17-18)9-16-14(15(19)20)13-5-3-2-4-6-13/h2-6,10-11,14,16H,7-9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyKYGYCOYYOLCSNH-CQSZACIVSA-N
MW289.34 g/mol
LogP1.45
Rot. Bonds8

About (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid

(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid (PubChem CID 122037992) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
PubChem CID122037992
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
SMILESCOCCn1cc(CN[C@@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H19N3O3/c1-21-8-7-18-11-12(10-17-18)9-16-14(15(19)20)13-5-3-2-4-6-13/h2-6,10-11,14,16H,7-9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyKYGYCOYYOLCSNH-CQSZACIVSA-N
XLogP1.45
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2,2-dimethyl-3-phenylpropanoic acid
CID 171359065
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996
[1-(2-methoxyethyl)pyrazol-4-yl]methanethiol
CID 155403637
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid (CID 122037992) is (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid is COCCn1cc(CN[C@@H](C(=O)O)c2ccccc2)cn1.
What is the InChIKey of (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid?
The InChIKey is KYGYCOYYOLCSNH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-8-7-18-11-12(10-17-18)9-16-14(15(19)20)13-5-3-2-4-6-13/h2-6,10-11,14,16H,7-9H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid?
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 122037992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).