5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

C14H18N2O4 — CID 138110706

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCc2ncccc21
InChIInChI=1S/C14H18N2O4/c1-13(2,3)20-12(19)16-14(11(17)18)7-6-10-9(14)5-4-8-15-10/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHFJAQKVQTJGHHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.83
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 138110706) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
PubChem CID138110706
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCc2ncccc21
InChIInChI=1S/C14H18N2O4/c1-13(2,3)20-12(19)16-14(11(17)18)7-6-10-9(14)5-4-8-15-10/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHFJAQKVQTJGHHD-UHFFFAOYSA-N
XLogP1.83
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 118482775
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(2-nitro-3-pyridinyl)cyclopropyl]prop-2-enoic acid
CID 175209065
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (CID 138110706) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCc2ncccc21.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is HFJAQKVQTJGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-13(2,3)20-12(19)16-14(11(17)18)7-6-10-9(14)5-4-8-15-10/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 138110706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).