2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid

C13H18N2O4 — CID 79269179

IUPAC2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1cccnc1N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-10(16)17)11-9(12(18)19-4)6-5-7-14-11/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyOHDHEFCLCHOEQP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds4

About 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid

2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid (PubChem CID 79269179) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
PubChem CID79269179
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1cccnc1N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-10(16)17)11-9(12(18)19-4)6-5-7-14-11/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyOHDHEFCLCHOEQP-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl-(3-cyano-2-pyridinyl)amino]acetic acid
CID 79269270
2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
CID 79269082
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-[(3-ethoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262210
methyl 2-(N-benzyl-4-chloroanilino)pyridine-3-carboxylate
CID 19800234
methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
CID 43784170
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
2-[(3-methoxycarbonyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81230057
CID 87392386
CID 87392386

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid (CID 79269179) is 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid is COC(=O)c1cccnc1N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The InChIKey is OHDHEFCLCHOEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)15(8-10(16)17)11-9(12(18)19-4)6-5-7-14-11/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 79269179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).