ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate

C17H26N2O4 — CID 54548263

IUPACethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate
SMILESCCOC(=O)C(CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H26N2O4/c1-6-13(15(20)22-7-2)10-12-8-9-14(18-11-12)19-16(21)23-17(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19,21)
InChIKeyZICIHUFPTOTFJP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds6

About ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate

ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate (PubChem CID 54548263) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate
PubChem CID54548263
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate
SMILESCCOC(=O)C(CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H26N2O4/c1-6-13(15(20)22-7-2)10-12-8-9-14(18-11-12)19-16(21)23-17(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19,21)
InChIKeyZICIHUFPTOTFJP-UHFFFAOYSA-N
XLogP3.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate with MolForge

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Related Compounds

2-[[1-[(4-Butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10110086
2-((1-((4-Butylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11646207
2-((1-((4-Benzylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11661185
Ethyl 2-[(6-amino-3-pyridinyl)methyl]-3-propanoylselanylpropanoate
CID 66563231
2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-pyridin-2-ylacetamide
CID 2938756
3-(6-Aminopyridin-3-yl)propanoic acid
CID 18404603
Ethyl 2-cyclohexyl-2-[(pyridin-2-YL)carbamoyl]acetate
CID 2899706
2-((1-((3-Ethylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11515481
2-((1-(Pyridin-2-ylcarbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652422
(2S)-3-(6-amino-3-pyridinyl)-2-[[(3R,6S)-4-oxo-6-propan-2-yl-8-oxa-5-azabicyclo[11.2.1]hexadeca-1(15),13(16)-dien-3-yl]carbamoylamino]propanoic acid
CID 133081484
2-(2-{[(Tert-butoxy)carbonyl]amino}pyridin-4-yl)acetic acid
CID 29921681
2-(6-{[(Tert-butoxy)carbonyl]amino}pyridin-3-yl)acetic acid
CID 53401511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate?
The IUPAC name of ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate (CID 54548263) is ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate.
What is the SMILES notation for ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate?
The canonical SMILES for ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate is CCOC(=O)C(CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate?
The InChIKey is ZICIHUFPTOTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-13(15(20)22-7-2)10-12-8-9-14(18-11-12)19-16(21)23-17(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19,21).
What are the key properties of ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate?
ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate has a molecular weight of 322.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]butanoate is sourced from PubChem (CID 54548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).