(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C19H26N2O6 — CID 68769415

IUPAC(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccco1
InChIInChI=1S/C19H26N2O6/c1-19(2,3)27-18(25)20-15(17(23)24)11-9-12-6-7-13(10-11)21(12)16(22)14-5-4-8-26-14/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,20,25)(H,23,24)/t11?,12?,13?,15-/m0/s1
InChIKeyLGIIRBBAHJEVKU-WOFVOEOOSA-N
MW378.43 g/mol
LogP2.64
Rot. Bonds4

About (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 68769415) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID68769415
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccco1
InChIInChI=1S/C19H26N2O6/c1-19(2,3)27-18(25)20-15(17(23)24)11-9-12-6-7-13(10-11)21(12)16(22)14-5-4-8-26-14/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,20,25)(H,23,24)/t11?,12?,13?,15-/m0/s1
InChIKeyLGIIRBBAHJEVKU-WOFVOEOOSA-N
XLogP2.64
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 59575585
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
(2S)-2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 68770292
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(2R)-2-cyclopropyl-2-(furan-2-carbonylamino)ethyl]carbamate
CID 95776013
tert-butyl N-[(3aS,4R,6aS)-2-(furan-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100899117
furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 16669260
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrrolidin-3-yl)acetic acid
CID 84709491
2-(4-fluoro-4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 171790648
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(thietan-3-yl)acetic acid
CID 127020869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 68769415) is (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccco1.
What is the InChIKey of (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is LGIIRBBAHJEVKU-WOFVOEOOSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-19(2,3)27-18(25)20-15(17(23)24)11-9-12-6-7-13(10-11)21(12)16(22)14-5-4-8-26-14/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,20,25)(H,23,24)/t11?,12?,13?,15-/m0/s1.
What are the key properties of (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
(2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 378.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[8-(furan-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 68769415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).