(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

C12H18N2O4 — CID 97211103

IUPAC(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOCCN(C)[C@H](C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O4/c1-14(6-7-17-2)11(12(15)16)9-4-5-10(18-3)13-8-9/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyONIKKYSBCRENAP-NSHDSACASA-N
MW254.29 g/mol
LogP0.79
Rot. Bonds7

About (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 97211103) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID97211103
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOCCN(C)[C@H](C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O4/c1-14(6-7-17-2)11(12(15)16)9-4-5-10(18-3)13-8-9/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyONIKKYSBCRENAP-NSHDSACASA-N
XLogP0.79
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 97211103) is (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is COCCN(C)[C@H](C(=O)O)c1ccc(OC)nc1.
What is the InChIKey of (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is ONIKKYSBCRENAP-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14(6-7-17-2)11(12(15)16)9-4-5-10(18-3)13-8-9/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 97211103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).