2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid

C16H24N2O4 — CID 103822521

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid
SMILESCCCN(C(=O)OC(C)(C)C)C(C(=O)O)c1cnccc1C
InChIInChI=1S/C16H24N2O4/c1-6-9-18(15(21)22-16(3,4)5)13(14(19)20)12-10-17-8-7-11(12)2/h7-8,10,13H,6,9H2,1-5H3,(H,19,20)
InChIKeyHQDPRIGNYXFTLE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.16
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid (PubChem CID 103822521) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid
PubChem CID103822521
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid
SMILESCCCN(C(=O)OC(C)(C)C)C(C(=O)O)c1cnccc1C
InChIInChI=1S/C16H24N2O4/c1-6-9-18(15(21)22-16(3,4)5)13(14(19)20)12-10-17-8-7-11(12)2/h7-8,10,13H,6,9H2,1-5H3,(H,19,20)
InChIKeyHQDPRIGNYXFTLE-UHFFFAOYSA-N
XLogP3.16
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
CID 103847225
2-(3-bromo-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
CID 105401996
2-(2-bromo-5-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
CID 103696836
2-(3-cyclopropylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
CID 103696794
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-sulfanylpropanoic acid
CID 87312791
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]butanoic acid
CID 118973535
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698235
3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid
CID 145044145
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
tert-butyl N-[(3-bromo-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118318074
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822603
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
CID 89116741

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid (CID 103822521) is 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid is CCCN(C(=O)OC(C)(C)C)C(C(=O)O)c1cnccc1C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid?
The InChIKey is HQDPRIGNYXFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-9-18(15(21)22-16(3,4)5)13(14(19)20)12-10-17-8-7-11(12)2/h7-8,10,13H,6,9H2,1-5H3,(H,19,20).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid has a molecular weight of 308.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-2-(4-methyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 103822521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).